A0A5K4F801_SCHMA Loading...

Cellulase domain-containing protein

AlphaFold DB , UniProt , Accession A0A5K4F801, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 507 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M44Very low47.7Very low220 Ų220167.3 Ų167.3100%1.08481%0.81SS**  0107.50-83168.1154.200107.7Y3M1-Y3 PolarHBondContact O-N 3.38Å
2N47Very low47.6Very low177 Ų177164.7 Ų164.795%0.94780%0.8SS**  trans-79.3106.2-179.3-94.9-14.8000109.9
3Y49.3Very low47.5Very low211 Ų211165.9 Ų165.983%0.82780%0.8SS**  trans-88.3101166.2-80.2-84000108.8M1 M5M1-Y3 PolarHBondContact O-N 3.38Å; Y3-M5 PolarHBondContact O-N 3.26Å
4S48.5Very low47.5Very low110 Ų110164.1 Ų164.177%0.76979%0.794SS**  trans-78.297.8169-176.80000108.5R6S4-R6 PolarHBondContact O-N 3.39Å
5M50.2Low47.3Very low149 Ų149168.7 Ų168.773%0.73480%0.8SS**  trans-70.7106.9169.1-94.2172.482.100109Y3 F7Y3-M5 PolarHBondContact O-N 3.26Å; M5-F7 HydrophobicContact CB-CE2 4.41Å; M5-F7 HydrophobicContact CE-CZ 4.17Å; M5-F7 PolarHBondContact O-N 3.25Å
6R49.8Very low47.3Very low233 Ų233163.8 Ų163.888%0.87979%0.79SS**  trans-74.5111.2167.6-73.8-177.5173.3-173.9-2.4108.8S4 T8S4-R6 PolarHBondContact O-N 3.39Å; R6-T8 PolarHBondContact O-N 3.43Å
7F48.6Very low47.3Very low171 Ų171157.8 Ų157.875%0.7577%0.769SS**  trans-80.9106.2168.1-78.6-88.8000109.3M5 I9M5-F7 HydrophobicContact CB-CE2 4.41Å; M5-F7 HydrophobicContact CE-CZ 4.17Å; M5-F7 PolarHBondContact O-N 3.25Å; F7-I9 PolarHBondContact O-N 3.41Å
8T48.3Very low47.4Very low123 Ų123155.7 Ų155.776%0.75577%0.766SS**  trans-80.3107.1166.3-54.20000107.9R6 I10R6-T8 PolarHBondContact O-N 3.43Å; T8-I10 PolarHBondContact O-N 3.26Å
9I46.5Very low47.3Very low135 Ų135158.1 Ų158.169%0.69277%0.768SS**  trans-77.2106.8175.3-62.7173.6000107.8F7 F11F7-I9 PolarHBondContact O-N 3.41Å; I9-F11 HydrophobicContact CG2-CD2 4.08Å; I9-F11 HydrophobicContact CG2-CE2 4Å; I9-F11 PolarHBondContact O-N 3.41Å
10I45.7Very low47.5Very low142 Ų142156.4 Ų156.473%0.72877%0.767SS**  trans-81107.6171.5-63.2173.8000107.3T8 I12T8-I10 PolarHBondContact O-N 3.26Å; I10-I12 HydrophobicContact CG2-CG1 4.24Å; I10-I12 PolarHBondContact O-N 3.17Å; I10-I12 VanDerWaalsContact O-N 3.17Å
11F46.7Very low47.8Very low169 Ų169157.4 Ų157.474%0.74177%0.77SS**  trans-72.3102.3168.4-88.4-90.3000109I9 F13I9-F11 HydrophobicContact CG2-CD2 4.08Å; I9-F11 HydrophobicContact CG2-CE2 4Å; I9-F11 PolarHBondContact O-N 3.41Å; F11-F13 PolarHBondContact O-N 3.29Å
12I46Very low48.7Very low136 Ų136151.9 Ų151.970%0.69774%0.74SS**  trans-77.4102.5165.4-60.9174.3000106.3I10 I14I10-I12 HydrophobicContact CG2-CG1 4.24Å; I10-I12 PolarHBondContact O-N 3.17Å; I10-I12 VanDerWaalsContact O-N 3.17Å; I12-I14 VanDerWaalsContact C-N 3.32Å; I12-I14 HydrophobicContact CG2-CG1 4.04Å; I12-I14 PolarHBondContact O-N 2.97Å
13F47Very low49.8Very low181 Ų181150.5 Ų150.579%0.79473%0.731SS**  trans-67.895.1165.5-86-88.2000108F11 W15F11-F13 PolarHBondContact O-N 3.29Å; F13-W15 VanDerWaalsContact C-N 3.26Å; F13-W15 PolarHBondContact O-N 2.98Å
14I47Very low51.4Low141 Ų141144.3 Ų144.372%0.72372%0.717SS**  trans-70.694.1163.7-56.2175.3000105.1I12 S16I12-I14 VanDerWaalsContact C-N 3.32Å; I12-I14 HydrophobicContact CG2-CG1 4.04Å; I12-I14 PolarHBondContact O-N 2.97Å; I14-S16 PolarHBondContact O-N 3.19Å
15W45.1Very low53.6Low232 Ų232140.8 Ų140.888%0.87969%0.69SS**  trans-64.187.9161.4-116.458.9000106F13 S17F13-W15 VanDerWaalsContact C-N 3.26Å; F13-W15 PolarHBondContact O-N 2.98Å; W15-S17 PolarHBondContact O-N 2.88Å
16S46.8Very low55.7Low91 Ų91135 Ų13564%0.63666%0.663SS**  trans-64.293.3158.849.70000105.1I14 V18I14-S16 PolarHBondContact O-N 3.19Å; S16-V18 VanDerWaalsContact C-N 3.29Å; S16-V18 PolarHBondContact O-N 3.46Å
17S48.2Very low57.9Low62 Ų62126.3 Ų126.343%0.43463%0.632SS.*  trans-49.8106.8158.848.10000105.2W15 Y19W15-S17 PolarHBondContact O-N 2.88Å; S17-Y19 WeakPolarHBondContact O-CD2 3.24Å; S17-Y19 PolarHBondContact O-N 2.86Å; S17-Y19 WeakPolarHBondContact OG-CE2 3.43Å
18V47.9Very low60.2Low120 Ų120118.4 Ų118.473%0.72760%0.597SS**  trans-62.294.3167.3-1780000103.2S16 T20S16-V18 VanDerWaalsContact C-N 3.29Å; S16-V18 PolarHBondContact O-N 3.46Å; V18-T20 HydrophobicContact CG1-CG2 4.4Å; V18-T20 PolarHBondContact O-N 2.89Å
19Y46.4Very low62.5Low201 Ų201116.6 Ų116.679%0.78858%0.58SS**  trans-61.995.4164-73.3-87.7000103.6S17 E21S17-Y19 WeakPolarHBondContact O-CD2 3.24Å; S17-Y19 PolarHBondContact O-N 2.86Å; S17-Y19 WeakPolarHBondContact OG-CE2 3.43Å; Y19-E21 PolarHBondContact O-N 2.86Å
20T50.6Low65Low123 Ų123110.3 Ų110.376%0.75555%0.548SS*.  trans-61.899.6162.7450000104.4V18 F22V18-T20 HydrophobicContact CG1-CG2 4.4Å; V18-T20 PolarHBondContact O-N 2.89Å; T20-F22 PolarHBondContact O-N 2.87Å; T20-F22 VanDerWaalsContact O-N 3.12Å
21E54Low67.3Low178 Ų178105.8 Ų105.883%0.83253%0.525SS*.  trans-51.6121.3175.8-150.9171.3-165.900106.7Y19 I23Y19-E21 PolarHBondContact O-N 2.86Å; E21-I23 PolarHBondContact O-N 3.17Å
22F62Low69.5Low104 Ų104107.3 Ų107.346%0.45654%0.535SS..  trans-59.6114.1-179.9169.5-101.1000107.8T20 P24 A112 E113T20-F22 PolarHBondContact O-N 2.87Å; T20-F22 VanDerWaalsContact O-N 3.12Å; F22-P24 HydrophobicContact CE1-CB 4.44Å; F22-P24 VanDerWaalsContact O-CD 3.27Å; F22-P24 WeakPolarHBondContact O-CD 3.21Å; F22-A112 WeakPolarHBondContact CE2-O 3.48Å; F22-A112 VanDerWaalsContact CZ-C 3.46Å; F22-A112 HydrophobicContact CZ-CB 4.38Å; F22-A112 WeakPolarHBondContact CZ-O 3.32Å; F22-E113 VanDerWaalsContact CE2-CA 3.45Å
23I70.4Confident71.8Confident148 Ų148106.1 Ų106.176%0.75953%0.53SS*.  trans-75.4114.4176.6-59.2176.4000106.4E21 L25E21-I23 PolarHBondContact O-N 3.17Å; I23-L25 PolarHBondContact O-N 2.67Å
24P83.4Confident74.2Confident82 Ų8297.9 Ų97.953%0.53250%0.496SS..PPolyproline II helixtrans-61.9140.8-179.526-33.4000110.1F22F22-P24 HydrophobicContact CE1-CB 4.44Å; F22-P24 VanDerWaalsContact O-CD 3.27Å; F22-P24 WeakPolarHBondContact O-CD 3.21Å
25L94.5Very high76.6Confident36 Ų3692.6 Ų92.619%0.18847%0.469CS..PPolyproline II helixtrans-52.4141.5172-76.4178.1000110.7I23 Y117 S207 N208I23-L25 PolarHBondContact O-N 2.67Å; L25-Y117 HydrophobicContact CB-CE1 4.19Å; L25-Y117 HydrophobicContact CB-CE2 4.25Å; L25-Y117 HydrophobicContact CD1-CD1 4.49Å; L25-Y117 HydrophobicContact CD1-CD2 3.81Å; L25-Y117 HydrophobicContact CD1-CE1 4.39Å; L25-Y117 HydrophobicContact CD1-CE2 3.73Å; L25-Y117 HydrophobicContact CD1-CG 4.22Å; L25-Y117 HydrophobicContact CD2-CE2 3.83Å; L25-Y117 HydrophobicContact CG-CE2 4.16Å; L25-S207 WeakPolarHBondContact O-CB 3.45Å; L25-S207 PolarHBondContact O-OG 3.04Å; L25-N208 HydrophobicContact CB-CB 4.19Å; L25-N208 HydrophobicContact CD1-CB 3.55Å; L25-N208 HydrophobicContact CG-CB 4.45Å
26S94.2Very high79.2Confident26 Ų2681.9 Ų81.918%0.18243%0.428CS..PPolyproline II helixtrans-68.2143.5179.6-56.80000111.5I28 H39 Y117S26-I28 PolarHBondContact O-N 2.84Å; S26-H39 PolarHBondContact OG-CE1 3.37Å; S26-H39 VanDerWaalsContact OG-CE1 3.23Å; S26-H39 PolarHBondContact OG-ND1 3.22Å; S26-H39 VanDerWaalsContact OG-ND1 3.14Å; S26-Y117 PolarHBondContact N-OH 3.07Å; S26-Y117 VanDerWaalsContact O-CE1 3.32Å; S26-Y117 WeakPolarHBondContact O-CE1 3.16Å; S26-Y117 PolarHBondContact O-OH 3.37Å
27K96.3Very high81.6Confident52 Ų5278.2 Ų78.223%0.22640%0.401CS..PPolyproline II helixtrans-66.5129.2167.3-163.669.8173.4174.90109.1K206 V209 S257 S258K27-K206 PolarHBondContact NZ-O 3.38Å; K27-V209 PolarHBondContact NZ-O 3.31Å; K27-S257 WeakPolarHBondContact CE-OG 3.49Å; K27-S258 VanDerWaalsContact CE-OG 3.3Å; K27-S258 WeakPolarHBondContact CE-OG 3.16Å; K27-S258 PolarHBondContact NZ-OG 2.84Å
28I97.7Very high83.8Confident4 Ų475.9 Ų75.92%0.02138%0.384CS..PPolyproline II helixtrans-92.9140.4-176.4-58.1-61.7000110.5S26 F36 M37 D38 K44 F46 Y117 L210 L259S26-I28 PolarHBondContact O-N 2.84Å; I28-F36 HydrophobicContact CG2-CB 3.72Å; I28-F36 HydrophobicContact CG2-CD1 3.92Å; I28-F36 HydrophobicContact CG2-CG 4.32Å; I28-M37 WeakPolarHBondContact CA-O 3.48Å; I28-D38 HydrophobicContact CD1-CB 4.19Å; I28-K44 HydrophobicContact CD1-CB 4.49Å; I28-K44 HydrophobicContact CD1-CG 3.88Å; I28-F46 HydrophobicContact CD1-CZ 4.27Å; I28-F46 HydrophobicContact CG1-CZ 4.02Å; I28-F46 HydrophobicContact CG2-CZ 4.43Å; I28-Y117 HydrophobicContact CD1-CE1 4.24Å; I28-Y117 HydrophobicContact CG1-CD1 4.29Å; I28-Y117 HydrophobicContact CG1-CE1 3.55Å; I28-L210 HydrophobicContact CB-CD1 3.61Å; I28-L210 HydrophobicContact CG1-CD1 3.88Å; I28-L210 HydrophobicContact CG2-CD1 3.75Å; I28-L259 HydrophobicContact CG2-CD1 4.35Å
29H96.5Very high85.9Confident85 Ų8576.6 Ų76.639%0.39438%0.379SS..EExtended strand (participates in β ladder)trans-131.8176170.665.7-76.1000109.7F36 M37 D38H29-F36 CarbonylContact O-C 3.41Å; H29-F36 WeakPolarHBondContact O-CA 3.39Å; H29-M37 PolarHBondContact N-O 3.33Å; H29-M37 PolarHBondContact ND1-O 2.95Å; H29-M37 PolarHBondContact O-N 2.77Å; H29-D38 PolarHBondContact CE1-O 3.34Å
30L98.2Very high88Confident4 Ų472.8 Ų72.82%0.02137%0.372CS..EExtended strand (participates in β ladder)trans-107.3139.1176.7-54.2169.2000111.1M35 F36 L259 S297 S299 V300 G349L30-M35 VanDerWaalsContact CA-O 3.29Å; L30-M35 WeakPolarHBondContact CA-O 3.32Å; L30-F36 HydrophobicContact CD2-CD1 3.54Å; L30-F36 HydrophobicContact CD2-CE1 3.77Å; L30-F36 HydrophobicContact CD2-CG 3.96Å; L30-F36 HydrophobicContact CD2-CZ 4.33Å; L30-L259 HydrophobicContact CD1-CD2 4.39Å; L30-L259 HydrophobicContact CD2-CD1 4.47Å; L30-L259 HydrophobicContact CG-CD2 4.05Å; L30-S297 WeakPolarHBondContact CB-O 3.41Å; L30-S297 PolarHBondContact N-O 3.25Å; L30-S297 WeakPolarHBondContact O-CB 3.22Å; L30-S299 WeakPolarHBondContact CD1-O 3.07Å; L30-V300 HydrophobicContact CD1-CG2 4.02Å; L30-V300 HydrophobicContact CD2-CG2 4.39Å; L30-G349 VanDerWaalsContact CD1-N 3.34Å
31N95.3Very high90Very high46 Ų4668.1 Ų68.125%0.24635%0.348CS..  trans-78-176.1168.3737.3000111.7D33 G34 M35 M37N31-D33 PolarHBondContact O-N 2.9Å; N31-D33 WeakPolarHBondContact OD1-CA 3.38Å; N31-D33 PolarHBondContact OD1-N 2.92Å; N31-G34 PolarHBondContact O-N 3.2Å; N31-G34 VanDerWaalsContact O-N 3.09Å; N31-G34 PolarHBondContact OD1-N 2.82Å; N31-G34 VanDerWaalsContact OD1-N 3.12Å; N31-M35 PolarHBondContact N-O 2.84Å; N31-M35 PolarHBondContact OD1-N 3.18Å; N31-M37 HydrophobicContact CB-CG 3.7Å; N31-M37 HydrophobicContact CB-SD 4.14Å
32Q93Very high92Very high202 Ų20261 Ų6194%0.94431%0.314SS*.THydrogen-bonded Turntrans-64.8-24.5-179.4-65.8-178.4-8.200113.7G34Q32-G34 VanDerWaalsContact C-N 3.3Å
33D94Very high93.7Very high110 Ų11056.3 Ų56.359%0.58829%0.294SS*.THydrogen-bonded Turntrans-87.4-0.2177-63.8-45.7000112.7N31 M35N31-D33 PolarHBondContact O-N 2.9Å; N31-D33 WeakPolarHBondContact OD1-CA 3.38Å; N31-D33 PolarHBondContact OD1-N 2.92Å; D33-M35 VanDerWaalsContact C-N 3.34Å; D33-M35 HydrophobicContact CB-CG 4.24Å
34G97.1Very high95Very high8 Ų850.7 Ų50.78%0.08226%0.264CS..SBendtrans78.714.9-177.800000114.2N31 Q32 G348 G349N31-G34 PolarHBondContact O-N 3.2Å; N31-G34 VanDerWaalsContact O-N 3.09Å; N31-G34 PolarHBondContact OD1-N 2.82Å; N31-G34 VanDerWaalsContact OD1-N 3.12Å; Q32-G34 VanDerWaalsContact C-N 3.3Å; G34-G348 WeakPolarHBondContact CA-O 3.16Å; G34-G349 VanDerWaalsContact O-CA 3.23Å; G34-G349 WeakPolarHBondContact O-CA 3.22Å
35M97.9Very high95.7Very high31 Ų3146.8 Ų46.815%0.15324%0.238CC..  trans-83.7142.2176.2-56.1-58.4-62.900110.4L30 N31 D33 I43 F420L30-M35 VanDerWaalsContact CA-O 3.29Å; L30-M35 WeakPolarHBondContact CA-O 3.32Å; N31-M35 PolarHBondContact N-O 2.84Å; N31-M35 PolarHBondContact OD1-N 3.18Å; D33-M35 VanDerWaalsContact C-N 3.34Å; D33-M35 HydrophobicContact CB-CG 4.24Å; M35-I43 HydrophobicContact CB-CD1 4.22Å; M35-I43 HydrophobicContact CB-CG1 4.16Å; M35-I43 HydrophobicContact CB-CG2 4.13Å; M35-I43 HydrophobicContact CE-CG2 3.74Å; M35-I43 HydrophobicContact CG-CD1 4.22Å; M35-F420 HydrophobicContact CE-CD2 3.67Å; M35-F420 HydrophobicContact CE-CE2 3.53Å
36F98.6Very high95.9Very high6 Ų645.1 Ų45.13%0.02623%0.23CC..EExtended strand (participates in β ladder)trans-71.5126.7176.9-56.8-89.3000111I28 H29 L30 I43 K44 F46 L210 L259 F261 V300 F351I28-F36 HydrophobicContact CG2-CB 3.72Å; I28-F36 HydrophobicContact CG2-CD1 3.92Å; I28-F36 HydrophobicContact CG2-CG 4.32Å; H29-F36 CarbonylContact O-C 3.41Å; H29-F36 WeakPolarHBondContact O-CA 3.39Å; L30-F36 HydrophobicContact CD2-CD1 3.54Å; L30-F36 HydrophobicContact CD2-CE1 3.77Å; L30-F36 HydrophobicContact CD2-CG 3.96Å; L30-F36 HydrophobicContact CD2-CZ 4.33Å; F36-I43 CarbonylContact O-C 3.43Å; F36-I43 VanDerWaalsContact O-CA 3.24Å; F36-I43 WeakPolarHBondContact O-CA 3.33Å; F36-K44 HydrophobicContact CB-CB 4.46Å; F36-K44 PolarHBondContact O-N 3.05Å; F36-F46 HydrophobicContact CB-CD2 4.43Å; F36-F46 HydrophobicContact CB-CE2 3.6Å; F36-F46 HydrophobicContact CB-CZ 4.46Å; F36-F46 HydrophobicContact CD1-CD2 4.46Å; F36-F46 AromaticContact CD1-CE2 3.91Å; F36-F46 HydrophobicContact CD1-CE2 3.91Å; F36-F46 HydrophobicContact CD2-CD2 4.15Å; F36-F46 HydrophobicContact CD2-CE2 4.11Å; F36-F46 HydrophobicContact CG-CD2 4.11Å; F36-F46 AromaticContact CG-CE2 3.61Å; F36-F46 HydrophobicContact CG-CE2 3.61Å; F36-L210 HydrophobicContact CD1-CD1 4.43Å; F36-L259 HydrophobicContact CD1-CD1 3.69Å; F36-L259 HydrophobicContact CE1-CD1 3.59Å; F36-F261 HydrophobicContact CE1-CZ 4.5Å; F36-V300 HydrophobicContact CE1-CG1 4.47Å; F36-V300 HydrophobicContact CE1-CG2 3.75Å; F36-V300 HydrophobicContact CZ-CG1 4.02Å; F36-V300 HydrophobicContact CZ-CG2 4.07Å; F36-F351 HydrophobicContact CE1-CD2 4.37Å; F36-F351 HydrophobicContact CE2-CD2 4.13Å; F36-F351 HydrophobicContact CZ-CB 4.42Å; F36-F351 AromaticContact CZ-CD2 3.68Å; F36-F351 HydrophobicContact CZ-CD2 3.68Å
37M97.2Very high96.1Very high14 Ų1444 Ų447%0.06922%0.222CC..EExtended strand (participates in β ladder)trans-122.6137.2-176.2-56.5-56.9-62.600111.2I28 H29 N31 G41 Y42 I43I28-M37 WeakPolarHBondContact CA-O 3.48Å; H29-M37 PolarHBondContact N-O 3.33Å; H29-M37 PolarHBondContact ND1-O 2.95Å; H29-M37 PolarHBondContact O-N 2.77Å; N31-M37 HydrophobicContact CB-CG 3.7Å; N31-M37 HydrophobicContact CB-SD 4.14Å; M37-G41 WeakPolarHBondContact CE-O 3.41Å; M37-Y42 VanDerWaalsContact CA-O 3.31Å; M37-Y42 WeakPolarHBondContact CA-O 3.45Å; M37-Y42 VanDerWaalsContact CE-C 3.44Å; M37-I43 HydrophobicContact CE-CG1 4.03Å; M37-I43 HydrophobicContact SD-CB 4.17Å; M37-I43 HydrophobicContact SD-CG1 3.41Å; M37-I43 WeakPolarHBondContact SD-CG1 3.39Å
38D95.5Very high96.2Very high13 Ų1341.6 Ų41.67%0.0721%0.211CC..  trans-78.8178.516472.217.9000112.2I28 H29 L40 G41 Y42 K44I28-D38 HydrophobicContact CD1-CB 4.19Å; H29-D38 PolarHBondContact CE1-O 3.34Å; D38-L40 PolarHBondContact O-N 2.78Å; D38-L40 WeakPolarHBondContact OD1-CA 3.29Å; D38-L40 WeakPolarHBondContact OD1-CB 3.47Å; D38-L40 PolarHBondContact OD1-N 3.5Å; D38-G41 PolarHBondContact O-N 3.17Å; D38-G41 PolarHBondContact OD1-N 3.45Å; D38-Y42 PolarHBondContact N-O 3.01Å; D38-Y42 PolarHBondContact OD1-N 3.07Å; D38-K44 HydrophobicContact CB-CD 4.31Å; D38-K44 HydrophobicContact CB-CG 4.22Å
39H91.7Very high96.2Very high135 Ų13541.8 Ų41.863%0.62521%0.212SC*.THydrogen-bonded Turntrans-69.1-14.7179.469.9-18000114.8S26S26-H39 PolarHBondContact OG-CE1 3.37Å; S26-H39 VanDerWaalsContact OG-CE1 3.23Å; S26-H39 PolarHBondContact OG-ND1 3.22Å; S26-H39 VanDerWaalsContact OG-ND1 3.14Å
40L90.5Very high96.2Very high121 Ų12137.9 Ų37.963%0.63419%0.194SC*.THydrogen-bonded Turntrans-91.9-6.3177-62.1179.9000111.6D38 Y42D38-L40 PolarHBondContact O-N 2.78Å; D38-L40 WeakPolarHBondContact OD1-CA 3.29Å; D38-L40 WeakPolarHBondContact OD1-CB 3.47Å; D38-L40 PolarHBondContact OD1-N 3.5Å; L40-Y42 HydrophobicContact CB-CD2 3.8Å; L40-Y42 HydrophobicContact CB-CE2 4.01Å
41G92.2Very high96.1Very high26 Ų2638.1 Ų38.127%0.26820%0.195SC..SBendtrans8426.3-178.200000113.7M37 D38M37-G41 WeakPolarHBondContact CE-O 3.41Å; D38-G41 PolarHBondContact O-N 3.17Å; D38-G41 PolarHBondContact OD1-N 3.45Å
42Y95.7Very high96.1Very high27 Ų2736.8 Ų36.811%0.10619%0.188CC..  trans-90.7135.6168.1-71.1-115.2000110.3M37 D38 L40 K44 S415 T416 N417 L451M37-Y42 VanDerWaalsContact CA-O 3.31Å; M37-Y42 WeakPolarHBondContact CA-O 3.45Å; M37-Y42 VanDerWaalsContact CE-C 3.44Å; D38-Y42 PolarHBondContact N-O 3.01Å; D38-Y42 PolarHBondContact OD1-N 3.07Å; L40-Y42 HydrophobicContact CB-CD2 3.8Å; L40-Y42 HydrophobicContact CB-CE2 4.01Å; Y42-K44 PolarHBondContact O-N 3.1Å; Y42-S415 VanDerWaalsContact CB-OG 3.31Å; Y42-S415 WeakPolarHBondContact CB-OG 3.39Å; Y42-S415 VanDerWaalsContact CD1-OG 3.31Å; Y42-S415 WeakPolarHBondContact CD1-OG 3.12Å; Y42-T416 CarbonylContact C-O 3.44Å; Y42-T416 WeakPolarHBondContact CA-O 3.46Å; Y42-N417 HydrophobicContact CD1-CB 3.83Å; Y42-N417 HydrophobicContact CD2-CB 4.44Å; Y42-N417 HydrophobicContact CE1-CB 3.67Å; Y42-N417 HydrophobicContact CE2-CB 4.3Å; Y42-N417 HydrophobicContact CG-CB 4.22Å; Y42-L451 HydrophobicContact CE1-CG 4.33Å; Y42-L451 PolarHBondContact OH-O 3.04Å
43I97.9Very high96.3Very high6 Ų629.9 Ų29.93%0.03116%0.156CC..EExtended strand (participates in β ladder)trans-65.4131166.1-63.3175000108.5M35 F36 M37 S415 T416 G418 F420M35-I43 HydrophobicContact CB-CD1 4.22Å; M35-I43 HydrophobicContact CB-CG1 4.16Å; M35-I43 HydrophobicContact CB-CG2 4.13Å; M35-I43 HydrophobicContact CE-CG2 3.74Å; M35-I43 HydrophobicContact CG-CD1 4.22Å; F36-I43 CarbonylContact O-C 3.43Å; F36-I43 VanDerWaalsContact O-CA 3.24Å; F36-I43 WeakPolarHBondContact O-CA 3.33Å; M37-I43 HydrophobicContact CE-CG1 4.03Å; M37-I43 HydrophobicContact SD-CB 4.17Å; M37-I43 HydrophobicContact SD-CG1 3.41Å; M37-I43 WeakPolarHBondContact SD-CG1 3.39Å; I43-S415 CarbonylContact O-C 3.5Å; I43-S415 WeakPolarHBondContact O-CA 3.06Å; I43-T416 PolarHBondContact N-O 3.18Å; I43-T416 PolarHBondContact O-N 3.19Å; I43-G418 WeakPolarHBondContact CD1-O 3.29Å; I43-F420 HydrophobicContact CB-CE2 4.48Å; I43-F420 HydrophobicContact CB-CZ 4.23Å; I43-F420 HydrophobicContact CG2-CD2 4.48Å; I43-F420 HydrophobicContact CG2-CE2 3.54Å; I43-F420 HydrophobicContact CG2-CZ 3.62Å
44K98.2Very high96.4Very high30 Ų3026.5 Ų26.513%0.1314%0.136CC..EExtended strand (participates in β ladder)trans-109129.4174.9-55.2-58.1-67.3175.50109.3I28 F36 D38 Y42 F46 Q414 S415I28-K44 HydrophobicContact CD1-CB 4.49Å; I28-K44 HydrophobicContact CD1-CG 3.88Å; F36-K44 HydrophobicContact CB-CB 4.46Å; F36-K44 PolarHBondContact O-N 3.05Å; D38-K44 HydrophobicContact CB-CD 4.31Å; D38-K44 HydrophobicContact CB-CG 4.22Å; Y42-K44 PolarHBondContact O-N 3.1Å; K44-F46 HydrophobicContact CB-CE1 4.42Å; K44-F46 HydrophobicContact CB-CE2 3.99Å; K44-F46 HydrophobicContact CB-CZ 3.74Å; K44-Q414 VanDerWaalsContact CE-O 3.3Å; K44-Q414 WeakPolarHBondContact CE-O 3.3Å; K44-Q414 PolarHBondContact NZ-O 2.57Å; K44-Q414 VanDerWaalsContact NZ-O 3.11Å; K44-S415 PolarHBondContact NZ-OG 3.01Å
45L98.4Very high96.3Very high1 Ų132.7 Ų32.71%0.00516%0.158CC..  trans-105.8136.2170.4-166.865.2000109.3N78 F383 S385 Y412 P413L45-N78 PolarHBondContact O-ND2 3.12Å; L45-F383 HydrophobicContact CD1-CB 4.47Å; L45-F383 WeakPolarHBondContact CD1-O 3.34Å; L45-S385 WeakPolarHBondContact CD1-OG 3.44Å; L45-Y412 HydrophobicContact CB-CD2 4.14Å; L45-Y412 HydrophobicContact CB-CE2 4.2Å; L45-Y412 HydrophobicContact CD2-CD2 3.91Å; L45-Y412 HydrophobicContact CG-CD2 4.27Å; L45-P413 VanDerWaalsContact CB-O 3.31Å; L45-P413 WeakPolarHBondContact CB-O 3.33Å
46F98.7Very high96.2Very high0 Ų038.7 Ų38.70%018%0.183CC..  trans-112.3136.3-176.9-56.8-82.8000112.4I28 F36 K44 N78 V79 Y117 L210 F351 S385 W386I28-F46 HydrophobicContact CD1-CZ 4.27Å; I28-F46 HydrophobicContact CG1-CZ 4.02Å; I28-F46 HydrophobicContact CG2-CZ 4.43Å; F36-F46 HydrophobicContact CB-CD2 4.43Å; F36-F46 HydrophobicContact CB-CE2 3.6Å; F36-F46 HydrophobicContact CB-CZ 4.46Å; F36-F46 HydrophobicContact CD1-CD2 4.46Å; F36-F46 AromaticContact CD1-CE2 3.91Å; F36-F46 HydrophobicContact CD1-CE2 3.91Å; F36-F46 HydrophobicContact CD2-CD2 4.15Å; F36-F46 HydrophobicContact CD2-CE2 4.11Å; F36-F46 HydrophobicContact CG-CD2 4.11Å; F36-F46 AromaticContact CG-CE2 3.61Å; F36-F46 HydrophobicContact CG-CE2 3.61Å; K44-F46 HydrophobicContact CB-CE1 4.42Å; K44-F46 HydrophobicContact CB-CE2 3.99Å; K44-F46 HydrophobicContact CB-CZ 3.74Å; F46-N78 WeakPolarHBondContact CA-OD1 3.49Å; F46-V79 HydrophobicContact CB-CB 4.06Å; F46-V79 HydrophobicContact CB-CG1 3.77Å; F46-V79 HydrophobicContact CD1-CB 4.17Å; F46-V79 HydrophobicContact CG-CB 4.48Å; F46-Y117 HydrophobicContact CD1-CD2 4.3Å; F46-Y117 AromaticContact CE1-CD2 3.58Å; F46-Y117 HydrophobicContact CE1-CD2 3.58Å; F46-Y117 AromaticContact CE1-CE2 3.93Å; F46-Y117 HydrophobicContact CE1-CE2 3.93Å; F46-Y117 AromaticContact CE1-CG 3.91Å; F46-Y117 HydrophobicContact CE1-CG 3.91Å; F46-L210 HydrophobicContact CD2-CD2 4.27Å; F46-L210 HydrophobicContact CE2-CD1 4.27Å; F46-L210 HydrophobicContact CE2-CD2 4.22Å; F46-L210 HydrophobicContact CG-CD2 4.44Å; F46-L210 HydrophobicContact CZ-CD1 4.11Å; F46-L210 HydrophobicContact CZ-CD2 4.37Å; F46-F351 HydrophobicContact CB-CE2 3.76Å; F46-F351 HydrophobicContact CB-CZ 3.91Å; F46-F351 HydrophobicContact CD2-CE2 4.13Å; F46-F351 HydrophobicContact CG-CE2 4.23Å; F46-S385 PolarHBondContact N-OG 3.4Å; F46-S385 CarbonylContact O-C 3.53Å; F46-S385 WeakPolarHBondContact O-CA 3.44Å; F46-S385 WeakPolarHBondContact O-CB 3.33Å; F46-W386 PolarHBondContact O-N 2.87Å
47R98.2Very high96.1Very high4 Ų440 Ų402%0.01519%0.193CC..EExtended strand (participates in β ladder)trans-139.8133.2175.5-65.8-173.2172.5173.15.3109.1L77 N78 D380 W386 R410 Y412R47-L77 CarbonylContact O-C 3.56Å; R47-L77 VanDerWaalsContact O-CA 3.32Å; R47-L77 WeakPolarHBondContact O-CA 3.46Å; R47-N78 PolarHBondContact N-OD1 3.13Å; R47-N78 PolarHBondContact O-N 2.93Å; R47-N78 PolarHBondContact O-OD1 3.43Å; R47-D380 IonicContact CZ-OD1 3.5Å; R47-D380 IonicContact NH2-OD1 2.95Å; R47-D380 PolarHBondContact NH2-OD1 3.19Å; R47-D380 IonicContact NH2-OD2 3.33Å; R47-W386 WeakPolarHBondContact CA-O 3.22Å; R47-W386 HydrophobicContact CB-CD2 4.33Å; R47-W386 HydrophobicContact CB-CH2 4.07Å; R47-W386 HydrophobicContact CB-CZ2 3.79Å; R47-W386 HydrophobicContact CB-CZ3 4.47Å; R47-W386 HydrophobicContact CG-CD2 4.24Å; R47-W386 HydrophobicContact CG-CZ2 3.77Å; R47-R410 PolarHBondContact NH1-O 3.19Å; R47-R410 VanDerWaalsContact NH1-O 3.11Å; R47-Y412 HydrophobicContact CG-CE1 4.49Å; R47-Y412 HydrophobicContact CG-CE2 4.2Å
48G97.9Very high96.1Very high0 Ų041.1 Ų41.10%020%0.196CC..EExtended strand (participates in β ladder)trans-173.6-157.8-168.500000114.4V79 W386 T387 F388G48-V79 WeakPolarHBondContact CA-O 3.09Å; G48-W386 PolarHBondContact N-O 3.07Å; G48-W386 WeakPolarHBondContact O-CZ3 3.5Å; G48-T387 WeakPolarHBondContact O-CA 3.3Å; G48-F388 PolarHBondContact O-N 3.19Å
49F97Very high96.1Very high8 Ų843.5 Ų43.54%0.03521%0.205CC..EExtended strand (participates in β ladder)trans-146.6165.1-18062.8-77.1000111.3N51 F72 L77 I80 R81 F388 G391 F393F49-N51 HydrophobicContact CE2-CB 4.17Å; F49-F72 HydrophobicContact CE1-CD1 4.11Å; F49-F72 AromaticContact CE1-CD2 3.77Å; F49-F72 HydrophobicContact CE1-CD2 3.77Å; F49-F72 HydrophobicContact CE1-CE1 4.18Å; F49-F72 AromaticContact CE1-CE2 3.88Å; F49-F72 HydrophobicContact CE1-CE2 3.88Å; F49-F72 AromaticContact CE1-CG 3.92Å; F49-F72 HydrophobicContact CE1-CG 3.92Å; F49-F72 HydrophobicContact CE1-CZ 4.08Å; F49-F72 HydrophobicContact CE2-CE2 4.4Å; F49-F72 HydrophobicContact CE2-CZ 4.41Å; F49-F72 AromaticContact CZ-CD2 3.73Å; F49-F72 HydrophobicContact CZ-CD2 3.73Å; F49-F72 HydrophobicContact CZ-CE1 4.24Å; F49-F72 AromaticContact CZ-CE2 3.4Å; F49-F72 HydrophobicContact CZ-CE2 3.4Å; F49-F72 VanDerWaalsContact CZ-CE2 3.4Å; F49-F72 HydrophobicContact CZ-CG 4.31Å; F49-F72 AromaticContact CZ-CZ 3.68Å; F49-F72 HydrophobicContact CZ-CZ 3.68Å; F49-L77 HydrophobicContact CD1-CD1 4.05Å; F49-L77 HydrophobicContact CE1-CD1 4.29Å; F49-I80 HydrophobicContact CD1-CG1 4.39Å; F49-I80 HydrophobicContact CE1-CD1 4.07Å; F49-I80 HydrophobicContact CE1-CG1 3.83Å; F49-I80 HydrophobicContact CZ-CD1 3.79Å; F49-I80 HydrophobicContact CZ-CG1 3.91Å; F49-I80 CarbonylContact O-C 3.56Å; F49-I80 WeakPolarHBondContact O-CA 3.32Å; F49-R81 PolarHBondContact O-N 3.05Å; F49-F388 CarbonylContact C-O 3.58Å; F49-F388 VanDerWaalsContact CA-O 3.24Å; F49-F388 WeakPolarHBondContact CA-O 3Å; F49-F388 HydrophobicContact CB-CB 4.39Å; F49-F388 WeakPolarHBondContact CB-O 3.2Å; F49-G391 VanDerWaalsContact CB-CA 3.46Å; F49-F393 HydrophobicContact CB-CE2 3.99Å; F49-F393 HydrophobicContact CD1-CD2 4.41Å; F49-F393 HydrophobicContact CD1-CE2 4.02Å; F49-F393 HydrophobicContact CG-CE2 4.18Å
50N97.5Very high96.1Very high3 Ų339.7 Ų39.72%0.01619%0.187CC..EExtended strand (participates in β ladder)trans-84.4136.3171.7-75.8-94.3000109V52 R81 T353 T387 F388 W389N50-V52 HydrophobicContact CB-CG2 4.49Å; N50-R81 CarbonylContact C-O 3.58Å; N50-R81 VanDerWaalsContact CA-O 3.24Å; N50-R81 WeakPolarHBondContact CA-O 3.39Å; N50-R81 WeakPolarHBondContact OD1-CB 3.35Å; N50-R81 WeakPolarHBondContact OD1-CD 3.25Å; N50-R81 WeakPolarHBondContact OD1-CG 3.33Å; N50-R81 PolarHBondContact OD1-NH1 2.99Å; N50-T353 PolarHBondContact ND2-O 2.83Å; N50-T387 PolarHBondContact ND2-O 3.28Å; N50-F388 PolarHBondContact N-O 3.34Å; N50-F388 PolarHBondContact ND2-O 2.94Å; N50-W389 HydrophobicContact CB-CE3 3.93Å; N50-W389 HydrophobicContact CB-CZ3 4.25Å; N50-W389 WeakPolarHBondContact CB-O 3.39Å
51N95.9Very high96.1Very high10 Ų1041.9 Ų41.95%0.05319%0.194CC..EExtended strand (participates in β ladder)trans-125.393.7169.7-173.1-34.4000107.2F49 Q60 I80 R81 L82 G83F49-N51 HydrophobicContact CE2-CB 4.17Å; N51-Q60 VanDerWaalsContact OD1-CD 3.31Å; N51-Q60 WeakPolarHBondContact OD1-CG 3.48Å; N51-I80 HydrophobicContact CB-CG2 3.7Å; N51-R81 PolarHBondContact N-O 3.46Å; N51-L82 HydrophobicContact CB-CD1 4.23Å; N51-G83 PolarHBondContact O-N 2.92Å
52V95.8Very high95.9Very high17 Ų1744 Ų4410%0.10320%0.199CC..  trans-121.8134.4-176.2178.40000108.7N50 K54 Q60 H123 W389N50-V52 HydrophobicContact CB-CG2 4.49Å; V52-K54 HydrophobicContact CG1-CG 4.15Å; V52-Q60 PolarHBondContact O-NE2 3.17Å; V52-H123 HydrophobicContact CG1-CB 3.9Å; V52-W389 HydrophobicContact CB-CH2 4.1Å; V52-W389 HydrophobicContact CB-CZ3 4.32Å; V52-W389 HydrophobicContact CG1-CH2 4.32Å; V52-W389 HydrophobicContact CG2-CH2 4.22Å; V52-W389 HydrophobicContact CG2-CZ3 3.96Å
53Q96.2Very high95.7Very high58 Ų5842.8 Ų42.827%0.27120%0.195SC..  trans-121.7105.9170.4175.863.821.200108.1Y55 W58 Q60Q53-Y55 VanDerWaalsContact C-N 3.35Å; Q53-Y55 VanDerWaalsContact CG-O 3.32Å; Q53-Y55 WeakPolarHBondContact CG-O 3.33Å; Q53-Y55 PolarHBondContact NE2-O 2.77Å; Q53-Y55 PolarHBondContact O-N 2.97Å; Q53-W58 WeakPolarHBondContact O-CA 3.24Å; Q53-Q60 HydrophobicContact CB-CG 3.94Å
54K95.8Very high95.4Very high38 Ų3846.9 Ų46.917%0.16521%0.21CC..  trans-70-30-171.6-65.9173.2177.4-167.50113.2V52 D125 Y134V52-K54 HydrophobicContact CG1-CG 4.15Å; K54-D125 WeakPolarHBondContact CE-OD2 3.42Å; K54-D125 IonicContact NZ-OD2 2.57Å; K54-D125 PolarHBondContact NZ-OD2 2.91Å; K54-Y134 HydrophobicContact CB-CD1 3.95Å; K54-Y134 HydrophobicContact CB-CD2 3.79Å; K54-Y134 HydrophobicContact CB-CE1 4.04Å; K54-Y134 HydrophobicContact CB-CE2 3.89Å; K54-Y134 HydrophobicContact CB-CG 3.82Å; K54-Y134 HydrophobicContact CD-CD1 3.96Å; K54-Y134 HydrophobicContact CD-CE1 3.45Å; K54-Y134 VanDerWaalsContact CD-CE1 3.45Å; K54-Y134 HydrophobicContact CG-CD1 4.24Å; K54-Y134 HydrophobicContact CG-CD2 4.39Å; K54-Y134 HydrophobicContact CG-CE1 3.82Å; K54-Y134 HydrophobicContact CG-CE2 3.99Å; K54-Y134 WeakPolarHBondContact O-CD2 3.48Å
55Y95.6Very high95.2Very high139 Ų13948.4 Ų48.455%0.54522%0.22SC..SBendtrans-108.7161.9-176.6-60.9-81.6000112.5Q53 W58 Y134Q53-Y55 VanDerWaalsContact C-N 3.35Å; Q53-Y55 VanDerWaalsContact CG-O 3.32Å; Q53-Y55 WeakPolarHBondContact CG-O 3.33Å; Q53-Y55 PolarHBondContact NE2-O 2.77Å; Q53-Y55 PolarHBondContact O-N 2.97Å; Y55-W58 WeakPolarHBondContact O-CA 3.38Å; Y55-W58 PolarHBondContact O-N 3.17Å; Y55-Y134 VanDerWaalsContact CE1-CB 3.49Å
56F96.1Very high95.1Very high156 Ų15652.3 Ų52.368%0.68424%0.24SC*.THydrogen-bonded Turntrans-47.2132.2171.3-179.3-86.6000110.8W58F56-W58 HydrophobicContact CB-CH2 4.44Å; F56-W58 HydrophobicContact CB-CZ2 4.27Å; F56-W58 AromaticContact CD2-CE3 3.96Å; F56-W58 HydrophobicContact CD2-CE3 3.96Å; F56-W58 AromaticContact CD2-CH2 3.68Å; F56-W58 HydrophobicContact CD2-CH2 3.68Å; F56-W58 HydrophobicContact CD2-CZ2 4.33Å; F56-W58 AromaticContact CD2-CZ3 3.45Å; F56-W58 HydrophobicContact CD2-CZ3 3.45Å; F56-W58 VanDerWaalsContact CD2-CZ3 3.45Å; F56-W58 HydrophobicContact CE2-CZ3 4.04Å; F56-W58 HydrophobicContact CG-CZ3 4.48Å
57P96.4Very high94.9Very high34 Ų3456.6 Ų56.622%0.22127%0.266CS..THydrogen-bonded Turncis-92.116.312.839-38.1000115.4Y59P57-Y59 VanDerWaalsContact C-N 3.26Å; P57-Y59 HydrophobicContact CB-CD1 4.09Å; P57-Y59 HydrophobicContact CB-CE1 3.56Å; P57-Y59 HydrophobicContact CG-CD1 4.12Å; P57-Y59 HydrophobicContact CG-CE1 3.73Å; P57-Y59 HydrophobicContact CG-CE2 4.4Å; P57-Y59 WeakPolarHBondContact O-CD1 3.37Å; P57-Y59 PolarHBondContact O-N 2.86Å
58W97.1Very high94.7Very high38 Ų3857.5 Ų57.514%0.14427%0.27CS..SBendtrans65.120.8176.7-48.9-72.4000116.2Q53 Y55 F56 M85 G88 Y100Q53-W58 WeakPolarHBondContact O-CA 3.24Å; Y55-W58 WeakPolarHBondContact O-CA 3.38Å; Y55-W58 PolarHBondContact O-N 3.17Å; F56-W58 HydrophobicContact CB-CH2 4.44Å; F56-W58 HydrophobicContact CB-CZ2 4.27Å; F56-W58 AromaticContact CD2-CE3 3.96Å; F56-W58 HydrophobicContact CD2-CE3 3.96Å; F56-W58 AromaticContact CD2-CH2 3.68Å; F56-W58 HydrophobicContact CD2-CH2 3.68Å; F56-W58 HydrophobicContact CD2-CZ2 4.33Å; F56-W58 AromaticContact CD2-CZ3 3.45Å; F56-W58 HydrophobicContact CD2-CZ3 3.45Å; F56-W58 VanDerWaalsContact CD2-CZ3 3.45Å; F56-W58 HydrophobicContact CE2-CZ3 4.04Å; F56-W58 HydrophobicContact CG-CZ3 4.48Å; W58-M85 HydrophobicContact CB-CB 3.91Å; W58-M85 HydrophobicContact CB-CG 3.66Å; W58-M85 HydrophobicContact CG-CB 3.79Å; W58-M85 HydrophobicContact CG-CG 3.82Å; W58-G88 VanDerWaalsContact CE3-CA 3.46Å; W58-Y100 HydrophobicContact CB-CD2 4.49Å; W58-Y100 HydrophobicContact CB-CE2 3.66Å; W58-Y100 PolarHBondContact O-OH 3.07Å
59Y95.8Very high94.6Very high63 Ų6357.6 Ų57.625%0.24727%0.271CS..SBendtrans-145.5151.816462.7-87.1000108.1P57 W64 Y100 V103P57-Y59 VanDerWaalsContact C-N 3.26Å; P57-Y59 HydrophobicContact CB-CD1 4.09Å; P57-Y59 HydrophobicContact CB-CE1 3.56Å; P57-Y59 HydrophobicContact CG-CD1 4.12Å; P57-Y59 HydrophobicContact CG-CE1 3.73Å; P57-Y59 HydrophobicContact CG-CE2 4.4Å; P57-Y59 WeakPolarHBondContact O-CD1 3.37Å; P57-Y59 PolarHBondContact O-N 2.86Å; Y59-W64 AromaticContact CD2-NE1 3.94Å; Y59-W64 AromaticContact CE2-NE1 3.91Å; Y59-Y100 HydrophobicContact CD1-CD2 4.49Å; Y59-Y100 HydrophobicContact CD1-CE2 4.41Å; Y59-V103 HydrophobicContact CD1-CG1 3.64Å; Y59-V103 HydrophobicContact CD2-CG1 4.17Å; Y59-V103 HydrophobicContact CE1-CG1 3.63Å; Y59-V103 HydrophobicContact CE2-CG1 4.17Å; Y59-V103 HydrophobicContact CG-CG1 3.92Å
60Q92Very high94.5Very high55 Ų5562.2 Ų62.226%0.25729%0.291SS..  trans-85.1138.4176.7-53.4-175.89.900110.3N51 V52 Q53 N62 A63N51-Q60 VanDerWaalsContact OD1-CD 3.31Å; N51-Q60 WeakPolarHBondContact OD1-CG 3.48Å; V52-Q60 PolarHBondContact O-NE2 3.17Å; Q53-Q60 HydrophobicContact CB-CG 3.94Å; Q60-N62 VanDerWaalsContact C-N 3.29Å; Q60-N62 WeakPolarHBondContact CB-OD1 3.4Å; Q60-N62 PolarHBondContact O-N 3.31Å; Q60-N62 PolarHBondContact OE1-ND2 2.92Å; Q60-N62 PolarHBondContact OE1-OD1 3.27Å; Q60-A63 WeakPolarHBondContact O-CB 3.33Å; Q60-A63 PolarHBondContact O-N 2.82Å; Q60-A63 VanDerWaalsContact O-N 3.12Å
61E89Confident94.4Very high167 Ų16764.2 Ų64.278%0.7830%0.301SS*.G310 helixtrans-63.9-34.2-180-68.6-174173.600112.8A63 W64E61-A63 PolarHBondContact O-N 3.12Å; E61-W64 PolarHBondContact O-N 2.93Å
62N89Confident94.4Very high69 Ų6964.5 Ų64.537%0.36930%0.302SS..G310 helixtrans-67.6-14.217664.8-15.5000113.5Q60 W64 N65Q60-N62 VanDerWaalsContact C-N 3.29Å; Q60-N62 WeakPolarHBondContact CB-OD1 3.4Å; Q60-N62 PolarHBondContact O-N 3.31Å; Q60-N62 PolarHBondContact OE1-ND2 2.92Å; Q60-N62 PolarHBondContact OE1-OD1 3.27Å; N62-W64 PolarHBondContact O-N 2.94Å; N62-N65 VanDerWaalsContact O-CB 3.23Å; N62-N65 WeakPolarHBondContact O-CB 3.47Å; N62-N65 PolarHBondContact O-N 3.13Å
63A90.7Very high94.3Very high3 Ų367.9 Ų67.93%0.02532%0.316CS..G310 helixtrans-59.3-20.8176.700000112.8Q60 E61 L107Q60-A63 WeakPolarHBondContact O-CB 3.33Å; Q60-A63 PolarHBondContact O-N 2.82Å; Q60-A63 VanDerWaalsContact O-N 3.12Å; E61-A63 PolarHBondContact O-N 3.12Å; A63-L107 HydrophobicContact CB-CD1 4.1Å; A63-L107 HydrophobicContact CB-CD2 3.73Å
64W92.8Very high94.2Very high91 Ų9169.4 Ų69.435%0.34533%0.327SS..G310 helixtrans-87.7-6.6176.2-59.898.2000114.2Y59 E61 N62 I66 V103 S106 L107 L110Y59-W64 AromaticContact CD2-NE1 3.94Å; Y59-W64 AromaticContact CE2-NE1 3.91Å; E61-W64 PolarHBondContact O-N 2.93Å; N62-W64 PolarHBondContact O-N 2.94Å; W64-I66 PolarHBondContact O-N 3.42Å; W64-V103 WeakPolarHBondContact CH2-O 3.2Å; W64-V103 HydrophobicContact CZ2-CG1 3.85Å; W64-S106 VanDerWaalsContact CH2-CB 3.41Å; W64-L107 HydrophobicContact CD2-CD2 3.48Å; W64-L107 VanDerWaalsContact CD2-CD2 3.48Å; W64-L107 HydrophobicContact CD2-CG 4.32Å; W64-L107 VanDerWaalsContact CE2-CD2 3.4Å; W64-L107 HydrophobicContact CE3-CD2 3.71Å; W64-L107 HydrophobicContact CE3-CG 4.48Å; W64-L107 HydrophobicContact CG-CD2 4.05Å; W64-L107 HydrophobicContact CH2-CB 4.32Å; W64-L107 HydrophobicContact CH2-CD2 3.74Å; W64-L107 HydrophobicContact CH2-CG 3.6Å; W64-L107 HydrophobicContact CZ2-CD1 4.2Å; W64-L107 HydrophobicContact CZ2-CD2 3.56Å; W64-L107 HydrophobicContact CZ2-CG 3.42Å; W64-L107 VanDerWaalsContact CZ2-CG 3.42Å; W64-L107 HydrophobicContact CZ3-CD2 3.83Å; W64-L107 HydrophobicContact CZ3-CG 4.15Å; W64-L110 HydrophobicContact CE3-CD2 3.94Å; W64-L110 HydrophobicContact CZ3-CD2 4.46Å
65N94.2Very high94.3Very high62 Ų6268.5 Ų68.533%0.33232%0.322SS..  trans-73.696.5-171.5-171.3-28.3000110.8N62 T67 Q68 I69N62-N65 VanDerWaalsContact O-CB 3.23Å; N62-N65 WeakPolarHBondContact O-CB 3.47Å; N62-N65 PolarHBondContact O-N 3.13Å; N65-T67 PolarHBondContact O-N 2.85Å; N65-T67 VanDerWaalsContact O-N 3.07Å; N65-T67 VanDerWaalsContact OD1-CB 3.26Å; N65-T67 WeakPolarHBondContact OD1-CB 3.46Å; N65-T67 PolarHBondContact OD1-N 2.86Å; N65-Q68 HydrophobicContact CB-CB 4.13Å; N65-Q68 HydrophobicContact CB-CG 3.95Å; N65-Q68 WeakPolarHBondContact O-CA 3.47Å; N65-Q68 WeakPolarHBondContact O-CB 3.3Å; N65-Q68 PolarHBondContact O-N 3.27Å; N65-Q68 PolarHBondContact OD1-N 3.5Å; N65-I69 WeakPolarHBondContact O-CG1 3.36Å; N65-I69 PolarHBondContact O-N 3.04Å
66I95.8Very high94.3Very high83 Ų8362 Ų6243%0.42630%0.297SS..Hα-helixtrans-52.7-33.7179.3-62.9173.9000112.1W64 I69 K70 L110W64-I66 PolarHBondContact O-N 3.42Å; I66-I69 PolarHBondContact O-N 2.84Å; I66-K70 HydrophobicContact CG2-CD 4.08Å; I66-K70 HydrophobicContact CG2-CG 4.42Å; I66-K70 WeakPolarHBondContact O-CB 3.34Å; I66-K70 VanDerWaalsContact O-CG 3.3Å; I66-K70 WeakPolarHBondContact O-CG 3.16Å; I66-K70 PolarHBondContact O-N 2.75Å; I66-L110 HydrophobicContact CG1-CD1 4.37Å
67T95.2Very high94.4Very high91 Ų9154.9 Ų54.956%0.55827%0.266SS*.Hα-helixtrans-65.5-44177.5-53.80000111N65 K70 M71N65-T67 PolarHBondContact O-N 2.85Å; N65-T67 VanDerWaalsContact O-N 3.07Å; N65-T67 VanDerWaalsContact OD1-CB 3.26Å; N65-T67 WeakPolarHBondContact OD1-CB 3.46Å; N65-T67 PolarHBondContact OD1-N 2.86Å; T67-K70 PolarHBondContact O-N 2.99Å; T67-M71 HydrophobicContact CG2-CE 4.17Å; T67-M71 WeakPolarHBondContact O-CG 3.47Å; T67-M71 PolarHBondContact O-N 2.84Å
68Q93.9Very high94.4Very high22 Ų2253.9 Ų53.910%0.10326%0.259CS..Hα-helixtrans-67.3-41.4176.2-63.8-174.6-1.700111.4N65 K70 M71 F72 I394N65-Q68 HydrophobicContact CB-CB 4.13Å; N65-Q68 HydrophobicContact CB-CG 3.95Å; N65-Q68 WeakPolarHBondContact O-CA 3.47Å; N65-Q68 WeakPolarHBondContact O-CB 3.3Å; N65-Q68 PolarHBondContact O-N 3.27Å; N65-Q68 PolarHBondContact OD1-N 3.5Å; Q68-K70 VanDerWaalsContact C-N 3.3Å; Q68-K70 PolarHBondContact O-N 3.47Å; Q68-M71 WeakPolarHBondContact O-CA 3.43Å; Q68-M71 VanDerWaalsContact O-CB 3.3Å; Q68-M71 WeakPolarHBondContact O-CB 3.48Å; Q68-M71 PolarHBondContact O-N 2.88Å; Q68-F72 HydrophobicContact CB-CE2 4.15Å; Q68-F72 HydrophobicContact CB-CZ 4.18Å; Q68-F72 VanDerWaalsContact O-CD2 3.32Å; Q68-F72 WeakPolarHBondContact O-CD2 3.16Å; Q68-F72 VanDerWaalsContact O-CG 3.28Å; Q68-F72 WeakPolarHBondContact O-CG 3.28Å; Q68-F72 PolarHBondContact O-N 3.11Å; Q68-I394 HydrophobicContact CB-CD1 3.72Å; Q68-I394 HydrophobicContact CG-CD1 3.62Å
69I95.1Very high94.5Very high2 Ų252.1 Ų52.11%0.0125%0.252CS..Hα-helixtrans-60.1-42176.5-61.1172.3000111.1N65 I66 M71 F72 Q73 L110 Y111 H114 I116N65-I69 WeakPolarHBondContact O-CG1 3.36Å; N65-I69 PolarHBondContact O-N 3.04Å; I66-I69 PolarHBondContact O-N 2.84Å; I69-M71 VanDerWaalsContact C-N 3.32Å; I69-M71 PolarHBondContact O-N 2.75Å; I69-F72 PolarHBondContact O-N 2.83Å; I69-Q73 PolarHBondContact O-N 2.84Å; I69-L110 HydrophobicContact CD1-CD1 4.43Å; I69-L110 HydrophobicContact CD1-CD2 3.46Å; I69-L110 VanDerWaalsContact CD1-CD2 3.46Å; I69-L110 HydrophobicContact CD1-CG 3.69Å; I69-Y111 HydrophobicContact CD1-CD1 4.12Å; I69-Y111 HydrophobicContact CD1-CE1 3.9Å; I69-Y111 HydrophobicContact CG1-CD1 4.44Å; I69-Y111 HydrophobicContact CG1-CE1 4.1Å; I69-H114 HydrophobicContact CG2-CB 3.54Å; I69-I116 HydrophobicContact CG2-CD1 3.98Å
70K95.1Very high94.6Very high106 Ų10649.1 Ų49.146%0.46124%0.241SC..Hα-helixtrans-65.6-33173.6-74.3176178.8178.30112.6I66 T67 Q68 N74I66-K70 HydrophobicContact CG2-CD 4.08Å; I66-K70 HydrophobicContact CG2-CG 4.42Å; I66-K70 WeakPolarHBondContact O-CB 3.34Å; I66-K70 VanDerWaalsContact O-CG 3.3Å; I66-K70 WeakPolarHBondContact O-CG 3.16Å; I66-K70 PolarHBondContact O-N 2.75Å; T67-K70 PolarHBondContact O-N 2.99Å; Q68-K70 VanDerWaalsContact C-N 3.3Å; Q68-K70 PolarHBondContact O-N 3.47Å; K70-N74 VanDerWaalsContact O-CB 3.27Å; K70-N74 WeakPolarHBondContact O-CB 3.17Å; K70-N74 PolarHBondContact O-N 2.87Å; K70-N74 PolarHBondContact O-ND2 3.03Å
71M94.9Very high94.9Very high45 Ų4546.5 Ų46.522%0.22223%0.229CC..Hα-helixtrans-62.9-47.5170.6-68.9174176.900110.7T67 Q68 I69 Q73 N74 W75 I394 P400T67-M71 HydrophobicContact CG2-CE 4.17Å; T67-M71 WeakPolarHBondContact O-CG 3.47Å; T67-M71 PolarHBondContact O-N 2.84Å; Q68-M71 WeakPolarHBondContact O-CA 3.43Å; Q68-M71 VanDerWaalsContact O-CB 3.3Å; Q68-M71 WeakPolarHBondContact O-CB 3.48Å; Q68-M71 PolarHBondContact O-N 2.88Å; I69-M71 VanDerWaalsContact C-N 3.32Å; I69-M71 PolarHBondContact O-N 2.75Å; M71-Q73 PolarHBondContact O-N 2.96Å; M71-N74 CarbonylContact O-C 3.51Å; M71-N74 PolarHBondContact O-N 2.92Å; M71-N74 VanDerWaalsContact O-N 3.16Å; M71-W75 HydrophobicContact CB-CD2 4.42Å; M71-W75 HydrophobicContact CB-CE3 4.3Å; M71-W75 HydrophobicContact CB-CH2 3.92Å; M71-W75 HydrophobicContact CB-CZ2 4.04Å; M71-W75 HydrophobicContact CB-CZ3 4.04Å; M71-W75 HydrophobicContact CG-CZ2 4.49Å; M71-W75 WeakPolarHBondContact O-CB 3.47Å; M71-W75 VanDerWaalsContact O-CD2 3.31Å; M71-W75 PolarHBondContact O-N 2.86Å; M71-W75 HydrophobicContact SD-CH2 4.26Å; M71-I394 HydrophobicContact SD-CD1 3.96Å; M71-P400 HydrophobicContact CE-CG 4.4Å; M71-P400 HydrophobicContact SD-CG 4.26Å
72F95Very high95.3Very high16 Ų1638.7 Ų38.77%0.0719%0.192CC..Hα-helixtrans-59-45.3177.4-55.3-34.7000112.2F49 Q68 I69 N74 W75 G76 L77 F393 I394F49-F72 HydrophobicContact CE1-CD1 4.11Å; F49-F72 AromaticContact CE1-CD2 3.77Å; F49-F72 HydrophobicContact CE1-CD2 3.77Å; F49-F72 HydrophobicContact CE1-CE1 4.18Å; F49-F72 AromaticContact CE1-CE2 3.88Å; F49-F72 HydrophobicContact CE1-CE2 3.88Å; F49-F72 AromaticContact CE1-CG 3.92Å; F49-F72 HydrophobicContact CE1-CG 3.92Å; F49-F72 HydrophobicContact CE1-CZ 4.08Å; F49-F72 HydrophobicContact CE2-CE2 4.4Å; F49-F72 HydrophobicContact CE2-CZ 4.41Å; F49-F72 AromaticContact CZ-CD2 3.73Å; F49-F72 HydrophobicContact CZ-CD2 3.73Å; F49-F72 HydrophobicContact CZ-CE1 4.24Å; F49-F72 AromaticContact CZ-CE2 3.4Å; F49-F72 HydrophobicContact CZ-CE2 3.4Å; F49-F72 VanDerWaalsContact CZ-CE2 3.4Å; F49-F72 HydrophobicContact CZ-CG 4.31Å; F49-F72 AromaticContact CZ-CZ 3.68Å; F49-F72 HydrophobicContact CZ-CZ 3.68Å; Q68-F72 HydrophobicContact CB-CE2 4.15Å; Q68-F72 HydrophobicContact CB-CZ 4.18Å; Q68-F72 VanDerWaalsContact O-CD2 3.32Å; Q68-F72 WeakPolarHBondContact O-CD2 3.16Å; Q68-F72 VanDerWaalsContact O-CG 3.28Å; Q68-F72 WeakPolarHBondContact O-CG 3.28Å; Q68-F72 PolarHBondContact O-N 3.11Å; I69-F72 PolarHBondContact O-N 2.83Å; F72-N74 PolarHBondContact O-N 3.47Å; F72-W75 AromaticContact CD1-CE3 3.85Å; F72-W75 HydrophobicContact CD1-CE3 3.85Å; F72-W75 AromaticContact CD1-CZ3 3.84Å; F72-W75 HydrophobicContact CD1-CZ3 3.84Å; F72-W75 HydrophobicContact CE1-CE3 4.44Å; F72-W75 AromaticContact CE1-CZ3 3.99Å; F72-W75 HydrophobicContact CE1-CZ3 3.99Å; F72-W75 CarbonylContact O-C 3.48Å; F72-W75 WeakPolarHBondContact O-CA 3.44Å; F72-W75 PolarHBondContact O-N 2.92Å; F72-W75 VanDerWaalsContact O-N 3.14Å; F72-G76 PolarHBondContact O-N 3.5Å; F72-L77 HydrophobicContact CB-CB 4.21Å; F72-L77 HydrophobicContact CB-CD1 4.15Å; F72-L77 HydrophobicContact CD1-CD1 3.99Å; F72-L77 HydrophobicContact CG-CD1 4.35Å; F72-L77 WeakPolarHBondContact O-CB 3.47Å; F72-L77 PolarHBondContact O-N 3.43Å; F72-F393 HydrophobicContact CE1-CD2 4.41Å; F72-I394 HydrophobicContact CD1-CD1 4.44Å; F72-I394 HydrophobicContact CE1-CD1 3.51Å; F72-I394 HydrophobicContact CE1-CG1 4.08Å; F72-I394 HydrophobicContact CZ-CD1 3.71Å
73Q94.2Very high95.8Very high87 Ų8735.6 Ų35.641%0.40718%0.176SC..Hα-helixtrans-59.9-46.5174.3-176.4-176.555.600111.6I69 M71 W75 G76 H114I69-Q73 PolarHBondContact O-N 2.84Å; M71-Q73 PolarHBondContact O-N 2.96Å; Q73-W75 PolarHBondContact O-N 3.3Å; Q73-G76 PolarHBondContact O-N 3.46Å; Q73-H114 PolarHBondContact NE2-O 3.16Å
74N94.9Very high96.1Very high91 Ų9135.4 Ų35.449%0.48718%0.175SC..Hα-helixtrans-63.8-28.2177.1-75.7-24.6000112.5K70 M71 F72 G76 Y456 N483K70-N74 VanDerWaalsContact O-CB 3.27Å; K70-N74 WeakPolarHBondContact O-CB 3.17Å; K70-N74 PolarHBondContact O-N 2.87Å; K70-N74 PolarHBondContact O-ND2 3.03Å; M71-N74 CarbonylContact O-C 3.51Å; M71-N74 PolarHBondContact O-N 2.92Å; M71-N74 VanDerWaalsContact O-N 3.16Å; F72-N74 PolarHBondContact O-N 3.47Å; N74-G76 PolarHBondContact O-N 3Å; N74-Y456 WeakPolarHBondContact O-CE2 3.41Å; N74-Y456 PolarHBondContact O-OH 2.7Å; N74-N483 PolarHBondContact O-ND2 2.81Å
75W96.3Very high96.4Very high18 Ų1831.1 Ų31.17%0.06816%0.158CC..THydrogen-bonded Turntrans-834.8173.7-66.2-23.2000113.8M71 F72 Q73 L77 F393 I394 P400 V405 I409 Y456M71-W75 HydrophobicContact CB-CD2 4.42Å; M71-W75 HydrophobicContact CB-CE3 4.3Å; M71-W75 HydrophobicContact CB-CH2 3.92Å; M71-W75 HydrophobicContact CB-CZ2 4.04Å; M71-W75 HydrophobicContact CB-CZ3 4.04Å; M71-W75 HydrophobicContact CG-CZ2 4.49Å; M71-W75 WeakPolarHBondContact O-CB 3.47Å; M71-W75 VanDerWaalsContact O-CD2 3.31Å; M71-W75 PolarHBondContact O-N 2.86Å; M71-W75 HydrophobicContact SD-CH2 4.26Å; F72-W75 AromaticContact CD1-CE3 3.85Å; F72-W75 HydrophobicContact CD1-CE3 3.85Å; F72-W75 AromaticContact CD1-CZ3 3.84Å; F72-W75 HydrophobicContact CD1-CZ3 3.84Å; F72-W75 HydrophobicContact CE1-CE3 4.44Å; F72-W75 AromaticContact CE1-CZ3 3.99Å; F72-W75 HydrophobicContact CE1-CZ3 3.99Å; F72-W75 CarbonylContact O-C 3.48Å; F72-W75 WeakPolarHBondContact O-CA 3.44Å; F72-W75 PolarHBondContact O-N 2.92Å; F72-W75 VanDerWaalsContact O-N 3.14Å; Q73-W75 PolarHBondContact O-N 3.3Å; W75-L77 HydrophobicContact CB-CG 4.3Å; W75-L77 PolarHBondContact O-N 3.14Å; W75-F393 HydrophobicContact CE3-CB 4.15Å; W75-F393 HydrophobicContact CH2-CB 4.2Å; W75-F393 HydrophobicContact CZ3-CB 3.5Å; W75-F393 VanDerWaalsContact CZ3-CB 3.5Å; W75-F393 HydrophobicContact CZ3-CG 4.34Å; W75-I394 HydrophobicContact CH2-CD1 4.27Å; W75-I394 HydrophobicContact CH2-CG1 3.87Å; W75-I394 HydrophobicContact CZ3-CD1 4.2Å; W75-I394 HydrophobicContact CZ3-CG1 3.94Å; W75-P400 HydrophobicContact CH2-CB 3.88Å; W75-P400 HydrophobicContact CH2-CG 4.01Å; W75-P400 HydrophobicContact CZ2-CB 3.64Å; W75-P400 HydrophobicContact CZ2-CG 3.67Å; W75-V405 HydrophobicContact CD2-CG2 4.46Å; W75-V405 HydrophobicContact CH2-CG2 3.87Å; W75-V405 HydrophobicContact CZ2-CG1 4.41Å; W75-V405 HydrophobicContact CZ2-CG2 3.74Å; W75-V405 HydrophobicContact CZ3-CG2 4.28Å; W75-I409 HydrophobicContact CB-CD1 3.67Å; W75-I409 HydrophobicContact CB-CG1 3.84Å; W75-I409 HydrophobicContact CB-CG2 3.96Å; W75-I409 HydrophobicContact CD2-CG1 4.46Å; W75-I409 HydrophobicContact CG-CD1 4.23Å; W75-I409 HydrophobicContact CG-CG1 3.96Å; W75-I409 HydrophobicContact CG-CG2 4.33Å; W75-I409 WeakPolarHBondContact O-CG2 3.29Å; W75-Y456 WeakPolarHBondContact CA-OH 3.28Å; W75-Y456 WeakPolarHBondContact O-CE1 3.45Å; W75-Y456 VanDerWaalsContact O-CZ 3.3Å; W75-Y456 PolarHBondContact O-OH 3.1Å
76G96.7Very high96.6Very high2 Ų228.1 Ų28.12%0.02114%0.143CC..THydrogen-bonded Turntrans72.38.4178.300000113.7F72 Q73 N74 N78 Y412 Q414F72-G76 PolarHBondContact O-N 3.5Å; Q73-G76 PolarHBondContact O-N 3.46Å; N74-G76 PolarHBondContact O-N 3Å; G76-N78 PolarHBondContact O-N 2.66Å; G76-Y412 PolarHBondContact O-OH 2.78Å; G76-Q414 PolarHBondContact O-NE2 3.33Å
77L97.3Very high96.8Very high8 Ų824.6 Ų24.64%0.04213%0.125CC..  trans-70.6126.5175-55.5178.8000109R47 F49 F72 W75 W386 F393 I409R47-L77 CarbonylContact O-C 3.56Å; R47-L77 VanDerWaalsContact O-CA 3.32Å; R47-L77 WeakPolarHBondContact O-CA 3.46Å; F49-L77 HydrophobicContact CD1-CD1 4.05Å; F49-L77 HydrophobicContact CE1-CD1 4.29Å; F72-L77 HydrophobicContact CB-CB 4.21Å; F72-L77 HydrophobicContact CB-CD1 4.15Å; F72-L77 HydrophobicContact CD1-CD1 3.99Å; F72-L77 HydrophobicContact CG-CD1 4.35Å; F72-L77 WeakPolarHBondContact O-CB 3.47Å; F72-L77 PolarHBondContact O-N 3.43Å; W75-L77 HydrophobicContact CB-CG 4.3Å; W75-L77 PolarHBondContact O-N 3.14Å; L77-W386 HydrophobicContact CD2-CH2 4.5Å; L77-F393 HydrophobicContact CD1-CD2 3.85Å; L77-F393 HydrophobicContact CD1-CE2 3.6Å; L77-F393 HydrophobicContact CD1-CZ 4.34Å; L77-I409 HydrophobicContact CD2-CD1 3.94Å; L77-I409 HydrophobicContact CG-CD1 4.26Å
78N97.9Very high96.9Very high13 Ų1320.3 Ų20.37%0.0710%0.099CC..  trans-1298.5-169.467.6-1000113.6L45 F46 R47 G76 Y117 Y412L45-N78 PolarHBondContact O-ND2 3.12Å; F46-N78 WeakPolarHBondContact CA-OD1 3.49Å; R47-N78 PolarHBondContact N-OD1 3.13Å; R47-N78 PolarHBondContact O-N 2.93Å; R47-N78 PolarHBondContact O-OD1 3.43Å; G76-N78 PolarHBondContact O-N 2.66Å; N78-Y117 PolarHBondContact O-N 2.92Å; N78-Y412 PolarHBondContact ND2-OH 2.78Å
79V98.6Very high97.1Very high0 Ų019.2 Ų19.20%09%0.094CC..EExtended strand (participates in β ladder)trans-145.9147.5174.768.20000110.8F46 G48 Y117 I119 L210 F351 T387F46-V79 HydrophobicContact CB-CB 4.06Å; F46-V79 HydrophobicContact CB-CG1 3.77Å; F46-V79 HydrophobicContact CD1-CB 4.17Å; F46-V79 HydrophobicContact CG-CB 4.48Å; G48-V79 WeakPolarHBondContact CA-O 3.09Å; V79-Y117 CarbonylContact C-O 3.6Å; V79-Y117 VanDerWaalsContact CA-O 3.24Å; V79-Y117 WeakPolarHBondContact CA-O 3.18Å; V79-I119 HydrophobicContact CG2-CD1 4.14Å; V79-I119 HydrophobicContact CG2-CG1 4.12Å; V79-L210 HydrophobicContact CG2-CD2 4.24Å; V79-F351 HydrophobicContact CG1-CZ 4.11Å; V79-T387 HydrophobicContact CG1-CG2 3.75Å
80I98Very high97.3Very high1 Ų119.7 Ų19.71%0.00510%0.096CC..EExtended strand (participates in β ladder)trans-127.4127.1167.5-66.9171.6000108.1F49 N51 L82 Y111 I116 Y117 V118 I119F49-I80 HydrophobicContact CD1-CG1 4.39Å; F49-I80 HydrophobicContact CE1-CD1 4.07Å; F49-I80 HydrophobicContact CE1-CG1 3.83Å; F49-I80 HydrophobicContact CZ-CD1 3.79Å; F49-I80 HydrophobicContact CZ-CG1 3.91Å; F49-I80 CarbonylContact O-C 3.56Å; F49-I80 WeakPolarHBondContact O-CA 3.32Å; N51-I80 HydrophobicContact CB-CG2 3.7Å; I80-L82 HydrophobicContact CG2-CB 4.21Å; I80-L82 PolarHBondContact O-N 2.88Å; I80-Y111 HydrophobicContact CD1-CD1 3.85Å; I80-Y111 HydrophobicContact CD1-CD2 4.16Å; I80-Y111 HydrophobicContact CD1-CE1 3.53Å; I80-Y111 HydrophobicContact CD1-CE2 3.85Å; I80-Y111 HydrophobicContact CD1-CG 4.16Å; I80-Y111 HydrophobicContact CG2-CE2 4.49Å; I80-I116 HydrophobicContact CB-CG2 4.38Å; I80-I116 HydrophobicContact CD1-CG2 3.92Å; I80-I116 HydrophobicContact CG1-CG2 3.81Å; I80-Y117 PolarHBondContact N-O 2.94Å; I80-V118 CarbonylContact O-C 3.58Å; I80-V118 VanDerWaalsContact O-CA 3.26Å; I80-V118 WeakPolarHBondContact O-CA 3.36Å; I80-I119 PolarHBondContact O-N 3.36Å
81R98.4Very high97.4Very high0 Ų017.4 Ų17.40%09%0.092CC..EExtended strand (participates in β ladder)trans-82.396.8166.2-177.4166.5176.9-9610.9107.6F49 N50 N51 I119 D121 D213 N216 E263 E354 T387F49-R81 PolarHBondContact O-N 3.05Å; N50-R81 CarbonylContact C-O 3.58Å; N50-R81 VanDerWaalsContact CA-O 3.24Å; N50-R81 WeakPolarHBondContact CA-O 3.39Å; N50-R81 WeakPolarHBondContact OD1-CB 3.35Å; N50-R81 WeakPolarHBondContact OD1-CD 3.25Å; N50-R81 WeakPolarHBondContact OD1-CG 3.33Å; N50-R81 PolarHBondContact OD1-NH1 2.99Å; N51-R81 PolarHBondContact N-O 3.46Å; R81-I119 CarbonylContact C-O 3.44Å; R81-I119 WeakPolarHBondContact CA-O 3.27Å; R81-I119 HydrophobicContact CB-CB 4.32Å; R81-I119 HydrophobicContact CG-CB 4.25Å; R81-I119 HydrophobicContact CG-CG2 4.31Å; R81-D121 HydrophobicContact CG-CB 3.89Å; R81-D121 IonicContact CZ-OD1 3.64Å; R81-D121 IonicContact CZ-OD2 2.8Å; R81-D121 VanDerWaalsContact CZ-OD2 3.3Å; R81-D121 IonicContact NE-OD2 2.77Å; R81-D121 IonicContact NH1-OD2 2.58Å; R81-D121 PolarHBondContact NH1-OD2 3Å; R81-D121 VanDerWaalsContact NH1-OD2 3.16Å; R81-D121 IonicContact NH2-OD1 3.74Å; R81-D121 PolarHBondContact NH2-OD1 2.91Å; R81-D121 IonicContact NH2-OD2 3.56Å; R81-D213 IonicContact CZ-OD2 3.97Å; R81-D213 VanDerWaalsContact CZ-OD2 3.31Å; R81-D213 IonicContact NE-OD2 2.69Å; R81-D213 PolarHBondContact NE-OD2 2.88Å; R81-D213 IonicContact NH2-OD2 2.67Å; R81-D213 PolarHBondContact NH2-OD2 3.12Å; R81-N216 PolarHBondContact NH1-OD1 3.07Å; R81-N216 VanDerWaalsContact NH1-OD1 3.08Å; R81-N216 PolarHBondContact NH2-OD1 3.18Å; R81-E263 IonicContact NH2-OE1 3.52Å; R81-E263 PolarHBondContact NH2-OE1 3.02Å; R81-E354 IonicContact NH1-OE2 3.1Å; R81-T387 HydrophobicContact CB-CG2 4.08Å
82L98.1Very high97.5Very high3 Ų318.8 Ų18.82%0.01610%0.1CC..EExtended strand (participates in β ladder)trans-94.7119.1-169.2-177.863.9000109.5N51 I80 I84 M104 I108 Y111 V118 I119 L120 D121N51-L82 HydrophobicContact CB-CD1 4.23Å; I80-L82 HydrophobicContact CG2-CB 4.21Å; I80-L82 PolarHBondContact O-N 2.88Å; L82-I84 PolarHBondContact O-N 3.26Å; L82-M104 HydrophobicContact CD1-CE 4.01Å; L82-M104 HydrophobicContact CD2-CE 3.6Å; L82-M104 HydrophobicContact CG-CE 3.63Å; L82-I108 HydrophobicContact CD2-CG1 4.15Å; L82-Y111 HydrophobicContact CD1-CE2 4.31Å; L82-Y111 HydrophobicContact CD2-CE2 4.21Å; L82-V118 HydrophobicContact CD2-CG1 4.46Å; L82-I119 PolarHBondContact N-O 3.11Å; L82-L120 HydrophobicContact CB-CD2 4.41Å; L82-L120 HydrophobicContact CD2-CD2 4.23Å; L82-D121 PolarHBondContact O-N 3.17Å
83G98.1Very high97.5Very high3 Ų321.4 Ų21.43%0.03111%0.114CC..EExtended strand (participates in β ladder)trans-63.2127.4176.800000111.5N51 M104N51-G83 PolarHBondContact O-N 2.92Å; G83-M104 WeakPolarHBondContact O-CE 3.42Å
84I98.5Very high97.6Very high0 Ų022.5 Ų22.50%013%0.132CC..  trans-12296.9170-172.1158000109.4L82 W86 V89 Y100 L120 D121 F195 I199 Y203L82-I84 PolarHBondContact O-N 3.26Å; I84-W86 PolarHBondContact O-N 3.18Å; I84-V89 HydrophobicContact CD1-CG2 4.18Å; I84-V89 HydrophobicContact CG1-CG2 3.83Å; I84-Y100 HydrophobicContact CG1-CE1 4.16Å; I84-L120 HydrophobicContact CG2-CB 3.88Å; I84-D121 PolarHBondContact N-O 3.04Å; I84-F195 HydrophobicContact CG2-CZ 4.26Å; I84-F195 WeakPolarHBondContact O-CZ 3.48Å; I84-I199 HydrophobicContact CD1-CD1 3.66Å; I84-I199 HydrophobicContact CD1-CG1 3.75Å; I84-I199 HydrophobicContact CG1-CD1 3.92Å; I84-I199 HydrophobicContact CG1-CG1 4.47Å; I84-I199 HydrophobicContact CG2-CD1 3.84Å; I84-Y203 HydrophobicContact CD1-CD2 4.49Å; I84-Y203 HydrophobicContact CD1-CE2 3.66Å
85M98.6Very high97.8Very high0 Ų022.5 Ų22.50%013%0.13CC..  trans-72.8129.6-168.6-60.9-54.5-59.400110.8W58 S87 G88 V89 Y100 H123 Y134W58-M85 HydrophobicContact CB-CB 3.91Å; W58-M85 HydrophobicContact CB-CG 3.66Å; W58-M85 HydrophobicContact CG-CB 3.79Å; W58-M85 HydrophobicContact CG-CG 3.82Å; M85-S87 VanDerWaalsContact C-N 3.27Å; M85-S87 PolarHBondContact O-N 3.23Å; M85-G88 WeakPolarHBondContact O-CA 3.42Å; M85-G88 PolarHBondContact O-N 2.71Å; M85-V89 PolarHBondContact O-N 3.02Å; M85-Y100 PolarHBondContact N-OH 2.8Å; M85-Y100 VanDerWaalsContact N-OH 3.14Å; M85-H123 WeakPolarHBondContact CE-O 3.15Å; M85-H123 HydrophobicContact SD-CB 3.84Å; M85-Y134 HydrophobicContact CE-CD2 3.95Å; M85-Y134 HydrophobicContact CE-CE2 3.5Å
86W98.8Very high97.9Very high0 Ų024.6 Ų24.60%015%0.145CC..Hα-helixtrans-58.2-43.2175.3-172.7-5.7000110.9I84 G88 V89 K90 M122 G136 I137 P138 L141 H191 W192 F195I84-W86 PolarHBondContact O-N 3.18Å; W86-G88 PolarHBondContact O-N 2.99Å; W86-V89 PolarHBondContact O-N 3.42Å; W86-K90 PolarHBondContact O-N 2.72Å; W86-M122 HydrophobicContact CB-CG 4.32Å; W86-M122 HydrophobicContact CB-SD 4.44Å; W86-M122 HydrophobicContact CD2-SD 4.33Å; W86-M122 HydrophobicContact CE3-CE 4.28Å; W86-M122 HydrophobicContact CE3-SD 3.61Å; W86-M122 HydrophobicContact CZ3-SD 4.28Å; W86-G136 WeakPolarHBondContact CB-O 3.32Å; W86-I137 HydrophobicContact CE3-CD1 3.81Å; W86-I137 HydrophobicContact CE3-CG2 4.36Å; W86-I137 HydrophobicContact CZ3-CD1 3.9Å; W86-I137 HydrophobicContact CZ3-CG2 4.13Å; W86-P138 HydrophobicContact CB-CG 4.1Å; W86-P138 VanDerWaalsContact CD1-CG 3.49Å; W86-P138 VanDerWaalsContact CD2-CD 3.42Å; W86-P138 HydrophobicContact CD2-CG 3.91Å; W86-P138 VanDerWaalsContact CG-CD 3.47Å; W86-P138 HydrophobicContact CG-CG 3.56Å; W86-L141 HydrophobicContact CH2-CD2 3.49Å; W86-L141 VanDerWaalsContact CH2-CD2 3.49Å; W86-L141 HydrophobicContact CZ2-CD2 3.77Å; W86-L141 HydrophobicContact CZ3-CD2 4.34Å; W86-H191 VanDerWaalsContact CZ2-C 3.41Å; W86-H191 HydrophobicContact CZ2-CB 3.91Å; W86-H191 WeakPolarHBondContact CZ2-O 3.3Å; W86-W192 VanDerWaalsContact CH2-CA 3.4Å; W86-W192 HydrophobicContact CH2-CB 3.42Å; W86-W192 VanDerWaalsContact CH2-CB 3.42Å; W86-W192 AromaticContact CH2-CG 3.82Å; W86-W192 HydrophobicContact CH2-CG 3.82Å; W86-W192 HydrophobicContact CZ2-CB 4.08Å; W86-W192 HydrophobicContact CZ3-CB 3.87Å; W86-W192 AromaticContact CZ3-CD1 3.89Å; W86-W192 HydrophobicContact CZ3-CD2 4.14Å; W86-W192 AromaticContact CZ3-CG 3.71Å; W86-W192 HydrophobicContact CZ3-CG 3.71Å; W86-F195 VanDerWaalsContact CA-CE2 3.41Å; W86-F195 HydrophobicContact CB-CD2 3.94Å; W86-F195 HydrophobicContact CB-CE2 3.92Å; W86-F195 HydrophobicContact CB-CG 4.38Å; W86-F195 HydrophobicContact CB-CZ 4.33Å; W86-F195 AromaticContact CD1-CD2 3.63Å; W86-F195 AromaticContact CD1-CG 3.85Å; W86-F195 HydrophobicContact CD2-CB 4.32Å; W86-F195 HydrophobicContact CD2-CG 4.33Å; W86-F195 HydrophobicContact CG-CB 4.22Å; W86-F195 AromaticContact CG-CD2 3.82Å; W86-F195 HydrophobicContact CG-CD2 3.82Å; W86-F195 HydrophobicContact CG-CE2 4.3Å; W86-F195 AromaticContact CG-CG 3.95Å; W86-F195 HydrophobicContact CG-CG 3.95Å
87S98.3Very high98Very high9 Ų926.2 Ų26.26%0.06315%0.153CC..Hα-helixtrans-62.4-26.8173.3-62.90000113.8M85 P91 D135 P138M85-S87 VanDerWaalsContact C-N 3.27Å; M85-S87 PolarHBondContact O-N 3.23Å; S87-P91 WeakPolarHBondContact O-CA 3.39Å; S87-D135 VanDerWaalsContact CB-O 3.28Å; S87-D135 WeakPolarHBondContact CB-O 3.46Å; S87-D135 WeakPolarHBondContact OG-CB 3.32Å; S87-D135 PolarHBondContact OG-O 2.94Å; S87-P138 WeakPolarHBondContact OG-CA 3.3Å
88G98.4Very high98Very high0 Ų029.9 Ų29.90%018%0.176CC..Hα-helixtrans-71.7-46.517300000112.4W58 M85 W86 N97 Y100W58-G88 VanDerWaalsContact CE3-CA 3.46Å; M85-G88 WeakPolarHBondContact O-CA 3.42Å; M85-G88 PolarHBondContact O-N 2.71Å; W86-G88 PolarHBondContact O-N 2.99Å; G88-N97 WeakPolarHBondContact O-CB 3.27Å; G88-N97 PolarHBondContact O-ND2 2.96Å; G88-N97 VanDerWaalsContact O-ND2 3.14Å; G88-Y100 WeakPolarHBondContact O-CD1 3.42Å
89V98.8Very high98Very high0 Ų034 Ų340%020%0.202CC..Hα-helixtrans-72.3-44.2-179.6176.60000112.2I84 M85 W86 N97 Y100 L101 F195 I198I84-V89 HydrophobicContact CD1-CG2 4.18Å; I84-V89 HydrophobicContact CG1-CG2 3.83Å; M85-V89 PolarHBondContact O-N 3.02Å; W86-V89 PolarHBondContact O-N 3.42Å; V89-N97 PolarHBondContact O-N 2.79Å; V89-Y100 HydrophobicContact CG2-CD1 4Å; V89-Y100 HydrophobicContact CG2-CE1 3.82Å; V89-L101 HydrophobicContact CG1-CD2 4.17Å; V89-L101 HydrophobicContact CG2-CD2 4.02Å; V89-F195 HydrophobicContact CB-CD2 3.77Å; V89-F195 HydrophobicContact CB-CE2 3.86Å; V89-F195 HydrophobicContact CG1-CD2 3.98Å; V89-F195 HydrophobicContact CG1-CE2 4.41Å; V89-F195 HydrophobicContact CG2-CD2 4.03Å; V89-F195 HydrophobicContact CG2-CE2 3.62Å; V89-I198 HydrophobicContact CG1-CB 4.26Å; V89-I198 HydrophobicContact CG1-CD1 4.26Å; V89-I198 HydrophobicContact CG1-CG2 3.76Å
90K98.4Very high98Very high11 Ų1134.4 Ų34.45%0.04820%0.203CC..  trans-125.878.7178.3-65.2-164.276.4-1770110.7W86 N92 I93 I95 W140 D194 I198W86-K90 PolarHBondContact O-N 2.72Å; K90-N92 PolarHBondContact O-N 2.94Å; K90-N92 VanDerWaalsContact O-N 3.16Å; K90-I93 VanDerWaalsContact CE-O 3.27Å; K90-I93 WeakPolarHBondContact CE-O 3.26Å; K90-I93 PolarHBondContact NZ-O 3.35Å; K90-I95 WeakPolarHBondContact CA-O 3.5Å; K90-W140 HydrophobicContact CB-CZ2 4.3Å; K90-W140 PolarHBondContact O-NE1 3.29Å; K90-D194 HydrophobicContact CD-CB 4.43Å; K90-D194 IonicContact NZ-OD2 3.68Å; K90-I198 HydrophobicContact CD-CD1 3.98Å; K90-I198 HydrophobicContact CG-CD1 4.03Å
91P97.6Very high98.1Very high58 Ų5834.5 Ų34.538%0.37720%0.204SC..SBendtrans-64.2-19.4177.326.3-35.2000113S87 I95 N97S87-P91 WeakPolarHBondContact O-CA 3.39Å; P91-I95 HydrophobicContact CG-CB 4.46Å; P91-I95 HydrophobicContact CG-CG2 4.04Å; P91-N97 HydrophobicContact CG-CB 4.16Å
92N96.3Very high98.1Very high75 Ų7538.4 Ų38.440%0.40123%0.225SC..BIsolated β-bridgetrans-145161.7169.2-165.9-17.4000109.5K90 S94 I95 W140K90-N92 PolarHBondContact O-N 2.94Å; K90-N92 VanDerWaalsContact O-N 3.16Å; N92-S94 PolarHBondContact O-N 2.87Å; N92-S94 VanDerWaalsContact O-N 3.14Å; N92-I95 HydrophobicContact CB-CB 4.44Å; N92-I95 HydrophobicContact CB-CD1 4.24Å; N92-I95 HydrophobicContact CB-CG1 4.38Å; N92-I95 PolarHBondContact O-N 2.88Å; N92-I95 VanDerWaalsContact O-N 3.16Å; N92-W140 VanDerWaalsContact CA-CD1 3.48Å
93I96.3Very high98.1Very high70 Ų7039.8 Ų39.836%0.35923%0.233SC..THydrogen-bonded Turntrans-50.6-38.9-177.9-165.4171.5000113.6K90 W140K90-I93 VanDerWaalsContact CE-O 3.27Å; K90-I93 WeakPolarHBondContact CE-O 3.26Å; K90-I93 PolarHBondContact NZ-O 3.35Å; I93-W140 HydrophobicContact CB-CD2 4.19Å; I93-W140 HydrophobicContact CB-CE3 3.74Å; I93-W140 HydrophobicContact CB-CH2 4.27Å; I93-W140 HydrophobicContact CB-CZ3 3.79Å; I93-W140 HydrophobicContact CD1-CE3 4.45Å; I93-W140 HydrophobicContact CD1-CZ3 4.11Å; I93-W140 HydrophobicContact CG1-CE3 4.14Å; I93-W140 HydrophobicContact CG1-CH2 4.18Å; I93-W140 HydrophobicContact CG1-CZ3 3.71Å
94S96Very high98.1Very high111 Ų11139.6 Ų39.678%0.77623%0.232SC*.THydrogen-bonded Turntrans-100-3.3-175.4-54.10000114.7N92N92-S94 PolarHBondContact O-N 2.87Å; N92-S94 VanDerWaalsContact O-N 3.14Å
95I97.9Very high98.1Very high90 Ų9042 Ų4246%0.46224%0.243SC..BIsolated β-bridgetrans-110.9128.3-174.3-62.2176.6000109.4K90 P91 N92K90-I95 WeakPolarHBondContact CA-O 3.5Å; P91-I95 HydrophobicContact CG-CB 4.46Å; P91-I95 HydrophobicContact CG-CG2 4.04Å; N92-I95 HydrophobicContact CB-CB 4.44Å; N92-I95 HydrophobicContact CB-CD1 4.24Å; N92-I95 HydrophobicContact CB-CG1 4.38Å; N92-I95 PolarHBondContact O-N 2.88Å; N92-I95 VanDerWaalsContact O-N 3.16Å
96V98.6Very high98.1Very high62 Ų6245 Ų4538%0.37626%0.264SS..  trans-102119.1163.5-178.70000107.5T98 L101 I198V96-T98 VanDerWaalsContact C-N 3.34Å; V96-T98 PolarHBondContact O-N 2.63Å; V96-L101 HydrophobicContact CG1-CD1 3.65Å; V96-I198 HydrophobicContact CB-CD1 4.47Å; V96-I198 HydrophobicContact CG1-CD1 4.09Å; V96-I198 HydrophobicContact CG1-CG1 4.44Å; V96-I198 HydrophobicContact CG1-CG2 3.89Å; V96-I198 HydrophobicContact CG2-CD1 3.58Å; V96-I198 HydrophobicContact CG2-CG1 4.33Å
97N98.7Very high98Very high37 Ų3745 Ų4520%0.19826%0.264CS..  trans-80.182.7-178.7-173.2-6.7000110.5G88 V89 P91 T99 Y100 L101G88-N97 WeakPolarHBondContact O-CB 3.27Å; G88-N97 PolarHBondContact O-ND2 2.96Å; G88-N97 VanDerWaalsContact O-ND2 3.14Å; V89-N97 PolarHBondContact O-N 2.79Å; P91-N97 HydrophobicContact CG-CB 4.16Å; N97-T99 PolarHBondContact O-N 2.86Å; N97-T99 PolarHBondContact OD1-N 3.05Å; N97-Y100 WeakPolarHBondContact ND2-CB 3.3Å; N97-Y100 PolarHBondContact O-N 2.85Å; N97-Y100 PolarHBondContact OD1-N 3.4Å; N97-Y100 VanDerWaalsContact OD1-N 3.08Å; N97-L101 PolarHBondContact O-N 2.95Å; N97-L101 VanDerWaalsContact O-N 3.07Å
98T98.4Very high98Very high85 Ų8544.5 Ų44.552%0.52126%0.261SS..Hα-helixtrans-62.8-26.5179.455.10000113V96 L101 N102V96-T98 VanDerWaalsContact C-N 3.34Å; V96-T98 PolarHBondContact O-N 2.63Å; T98-L101 PolarHBondContact O-N 3.27Å; T98-N102 WeakPolarHBondContact O-CB 3.4Å; T98-N102 PolarHBondContact O-N 2.98Å; T98-N102 PolarHBondContact O-ND2 3.24Å; T98-N102 PolarHBondContact O-OD1 3.08Å
99T98.4Very high98Very high99 Ų9947.2 Ų47.261%0.60728%0.275SS*.Hα-helixtrans-64.9-48.3174.8-59.50000110.6N97 N102 V103N97-T99 PolarHBondContact O-N 2.86Å; N97-T99 PolarHBondContact OD1-N 3.05Å; T99-N102 PolarHBondContact O-N 2.97Å; T99-V103 WeakPolarHBondContact O-CG2 3.32Å; T99-V103 PolarHBondContact O-N 3.04Å; T99-V103 VanDerWaalsContact O-N 3.09Å
100Y98.5Very high97.9Very high8 Ų848.2 Ų48.23%0.03128%0.28CS..Hα-helixtrans-61.3-44.3174.8177.1-116000111.8W58 Y59 I84 M85 G88 V89 N97 N102 V103 M104W58-Y100 HydrophobicContact CB-CD2 4.49Å; W58-Y100 HydrophobicContact CB-CE2 3.66Å; W58-Y100 PolarHBondContact O-OH 3.07Å; Y59-Y100 HydrophobicContact CD1-CD2 4.49Å; Y59-Y100 HydrophobicContact CD1-CE2 4.41Å; I84-Y100 HydrophobicContact CG1-CE1 4.16Å; M85-Y100 PolarHBondContact N-OH 2.8Å; M85-Y100 VanDerWaalsContact N-OH 3.14Å; G88-Y100 WeakPolarHBondContact O-CD1 3.42Å; V89-Y100 HydrophobicContact CG2-CD1 4Å; V89-Y100 HydrophobicContact CG2-CE1 3.82Å; N97-Y100 WeakPolarHBondContact ND2-CB 3.3Å; N97-Y100 PolarHBondContact O-N 2.85Å; N97-Y100 PolarHBondContact OD1-N 3.4Å; N97-Y100 VanDerWaalsContact OD1-N 3.08Å; Y100-N102 VanDerWaalsContact C-N 3.29Å; Y100-N102 PolarHBondContact O-N 3.13Å; Y100-V103 PolarHBondContact O-N 2.89Å; Y100-M104 HydrophobicContact CD1-CG 4.43Å; Y100-M104 HydrophobicContact CD2-CG 4.1Å; Y100-M104 HydrophobicContact CD2-SD 4.42Å; Y100-M104 HydrophobicContact CE1-CG 4.06Å; Y100-M104 HydrophobicContact CE2-CG 3.68Å; Y100-M104 HydrophobicContact CE2-SD 3.64Å; Y100-M104 HydrophobicContact CG-CG 4.46Å; Y100-M104 WeakPolarHBondContact O-CG 3.37Å; Y100-M104 PolarHBondContact O-N 3.28Å
101L98.8Very high97.8Very high4 Ų447.8 Ų47.82%0.02128%0.278CS..Hα-helixtrans-58.6-39.9178.2-68.5171.3000112.7V89 V96 N97 T98 M104 E105 I198 Y203V89-L101 HydrophobicContact CG1-CD2 4.17Å; V89-L101 HydrophobicContact CG2-CD2 4.02Å; V96-L101 HydrophobicContact CG1-CD1 3.65Å; N97-L101 PolarHBondContact O-N 2.95Å; N97-L101 VanDerWaalsContact O-N 3.07Å; T98-L101 PolarHBondContact O-N 3.27Å; L101-M104 PolarHBondContact O-N 3.48Å; L101-E105 WeakPolarHBondContact O-CB 3.37Å; L101-E105 PolarHBondContact O-N 3.24Å; L101-I198 HydrophobicContact CD1-CG2 3.52Å; L101-I198 HydrophobicContact CD2-CG2 4.08Å; L101-I198 HydrophobicContact CG-CG2 4.44Å; L101-Y203 WeakPolarHBondContact CA-OH 3.17Å; L101-Y203 HydrophobicContact CD2-CE2 4.13Å; L101-Y203 WeakPolarHBondContact CD2-OH 3.08Å; L101-Y203 PolarHBondContact O-OH 2.84Å
102N98.6Very high97.8Very high81 Ų8145.5 Ų45.543%0.43326%0.264SS..Hα-helixtrans-70.8-36178.3-68.4-11000112.6T98 T99 Y100 E105 S106T98-N102 WeakPolarHBondContact O-CB 3.4Å; T98-N102 PolarHBondContact O-N 2.98Å; T98-N102 PolarHBondContact O-ND2 3.24Å; T98-N102 PolarHBondContact O-OD1 3.08Å; T99-N102 PolarHBondContact O-N 2.97Å; Y100-N102 VanDerWaalsContact C-N 3.29Å; Y100-N102 PolarHBondContact O-N 3.13Å; N102-E105 WeakPolarHBondContact O-CB 3.39Å; N102-E105 PolarHBondContact O-N 3.36Å; N102-S106 PolarHBondContact O-N 2.96Å; N102-S106 PolarHBondContact O-OG 2.88Å
103V98.2Very high97.8Very high32 Ų3247.7 Ų47.719%0.19427%0.272CS..Hα-helixtrans-61.7-48.4173169.70000110Y59 W64 T99 Y100 E105 S106 L107Y59-V103 HydrophobicContact CD1-CG1 3.64Å; Y59-V103 HydrophobicContact CD2-CG1 4.17Å; Y59-V103 HydrophobicContact CE1-CG1 3.63Å; Y59-V103 HydrophobicContact CE2-CG1 4.17Å; Y59-V103 HydrophobicContact CG-CG1 3.92Å; W64-V103 WeakPolarHBondContact CH2-O 3.2Å; W64-V103 HydrophobicContact CZ2-CG1 3.85Å; T99-V103 WeakPolarHBondContact O-CG2 3.32Å; T99-V103 PolarHBondContact O-N 3.04Å; T99-V103 VanDerWaalsContact O-N 3.09Å; Y100-V103 PolarHBondContact O-N 2.89Å; V103-E105 VanDerWaalsContact C-N 3.34Å; V103-E105 PolarHBondContact O-N 3.11Å; V103-S106 PolarHBondContact O-N 3.19Å; V103-L107 PolarHBondContact O-N 3.19Å; V103-L107 VanDerWaalsContact O-N 3.09Å
104M98.6Very high97.8Very high0 Ų045.3 Ų45.30%026%0.26CS..Hα-helixtrans-64.3-38.9177.4-61.5-51.1-69.600111.7L82 G83 Y100 L101 S106 L107 I108 Y203L82-M104 HydrophobicContact CD1-CE 4.01Å; L82-M104 HydrophobicContact CD2-CE 3.6Å; L82-M104 HydrophobicContact CG-CE 3.63Å; G83-M104 WeakPolarHBondContact O-CE 3.42Å; Y100-M104 HydrophobicContact CD1-CG 4.43Å; Y100-M104 HydrophobicContact CD2-CG 4.1Å; Y100-M104 HydrophobicContact CD2-SD 4.42Å; Y100-M104 HydrophobicContact CE1-CG 4.06Å; Y100-M104 HydrophobicContact CE2-CG 3.68Å; Y100-M104 HydrophobicContact CE2-SD 3.64Å; Y100-M104 HydrophobicContact CG-CG 4.46Å; Y100-M104 WeakPolarHBondContact O-CG 3.37Å; Y100-M104 PolarHBondContact O-N 3.28Å; L101-M104 PolarHBondContact O-N 3.48Å; M104-S106 VanDerWaalsContact C-N 3.34Å; M104-S106 PolarHBondContact O-N 3.27Å; M104-L107 PolarHBondContact O-N 3.18Å; M104-L107 HydrophobicContact SD-CD1 4.18Å; M104-I108 WeakPolarHBondContact O-CD1 3.42Å; M104-I108 WeakPolarHBondContact O-CG1 3.47Å; M104-I108 PolarHBondContact O-N 2.85Å; M104-Y203 WeakPolarHBondContact CB-OH 3.49Å
105E98.5Very high97.7Very high50 Ų5041.5 Ų41.523%0.23424%0.237CC..Hα-helixtrans-54.7-49.8173.4173.8150.4-131.800111.9L101 N102 V103 L107 I108 D109 H202 Y203 K206L101-E105 WeakPolarHBondContact O-CB 3.37Å; L101-E105 PolarHBondContact O-N 3.24Å; N102-E105 WeakPolarHBondContact O-CB 3.39Å; N102-E105 PolarHBondContact O-N 3.36Å; V103-E105 VanDerWaalsContact C-N 3.34Å; V103-E105 PolarHBondContact O-N 3.11Å; E105-L107 VanDerWaalsContact C-N 3.32Å; E105-L107 PolarHBondContact O-N 2.91Å; E105-I108 PolarHBondContact O-N 2.89Å; E105-D109 PolarHBondContact O-N 3.4Å; E105-H202 IonicContact OE1-NE2 3.96Å; E105-H202 IonicContact OE2-CD2 3.87Å; E105-H202 IonicContact OE2-CE1 2.97Å; E105-H202 IonicContact OE2-NE2 3.32Å; E105-H202 PolarHBondContact OE2-NE2 2.69Å; E105-Y203 HydrophobicContact CB-CE1 3.87Å; E105-K206 WeakPolarHBondContact OE1-CE 3.32Å; E105-K206 IonicContact OE1-NZ 3.33Å; E105-K206 PolarHBondContact OE1-NZ 2.75Å
106S97.9Very high97.7Very high62 Ų6237.3 Ų37.343%0.43422%0.216SC..Hα-helixtrans-66.6-31.7-179.2-71.20000112.5W64 N102 V103 M104 L110W64-S106 VanDerWaalsContact CH2-CB 3.41Å; N102-S106 PolarHBondContact O-N 2.96Å; N102-S106 PolarHBondContact O-OG 2.88Å; V103-S106 PolarHBondContact O-N 3.19Å; M104-S106 VanDerWaalsContact C-N 3.34Å; M104-S106 PolarHBondContact O-N 3.27Å; S106-L110 WeakPolarHBondContact O-CB 3.43Å; S106-L110 PolarHBondContact O-N 2.92Å
107L97.8Very high97.7Very high0 Ų034.9 Ų34.90%020%0.2CC..Hα-helixtrans-66.7-45170.1-76.2176.4000111.9A63 W64 V103 M104 E105 D109 L110 Y111A63-L107 HydrophobicContact CB-CD1 4.1Å; A63-L107 HydrophobicContact CB-CD2 3.73Å; W64-L107 HydrophobicContact CD2-CD2 3.48Å; W64-L107 VanDerWaalsContact CD2-CD2 3.48Å; W64-L107 HydrophobicContact CD2-CG 4.32Å; W64-L107 VanDerWaalsContact CE2-CD2 3.4Å; W64-L107 HydrophobicContact CE3-CD2 3.71Å; W64-L107 HydrophobicContact CE3-CG 4.48Å; W64-L107 HydrophobicContact CG-CD2 4.05Å; W64-L107 HydrophobicContact CH2-CB 4.32Å; W64-L107 HydrophobicContact CH2-CD2 3.74Å; W64-L107 HydrophobicContact CH2-CG 3.6Å; W64-L107 HydrophobicContact CZ2-CD1 4.2Å; W64-L107 HydrophobicContact CZ2-CD2 3.56Å; W64-L107 HydrophobicContact CZ2-CG 3.42Å; W64-L107 VanDerWaalsContact CZ2-CG 3.42Å; W64-L107 HydrophobicContact CZ3-CD2 3.83Å; W64-L107 HydrophobicContact CZ3-CG 4.15Å; V103-L107 PolarHBondContact O-N 3.19Å; V103-L107 VanDerWaalsContact O-N 3.09Å; M104-L107 PolarHBondContact O-N 3.18Å; M104-L107 HydrophobicContact SD-CD1 4.18Å; E105-L107 VanDerWaalsContact C-N 3.32Å; E105-L107 PolarHBondContact O-N 2.91Å; L107-D109 VanDerWaalsContact C-N 3.29Å; L107-D109 PolarHBondContact O-N 2.88Å; L107-L110 PolarHBondContact O-N 3.42Å; L107-Y111 HydrophobicContact CB-CE2 4.39Å; L107-Y111 VanDerWaalsContact O-CD2 3.26Å; L107-Y111 WeakPolarHBondContact O-CD2 3.3Å; L107-Y111 PolarHBondContact O-N 2.95Å
108I98.2Very high97.7Very high0 Ų033.1 Ų33.10%019%0.191CC..Hα-helixtrans-60.9-42.1178.9-65.1164.5000110.2L82 M104 E105 Y111 A112 V118 L120 Y203 K206 N208 V209L82-I108 HydrophobicContact CD2-CG1 4.15Å; M104-I108 WeakPolarHBondContact O-CD1 3.42Å; M104-I108 WeakPolarHBondContact O-CG1 3.47Å; M104-I108 PolarHBondContact O-N 2.85Å; E105-I108 PolarHBondContact O-N 2.89Å; I108-Y111 PolarHBondContact O-N 3.22Å; I108-A112 PolarHBondContact O-N 3.41Å; I108-V118 HydrophobicContact CG1-CG2 4.13Å; I108-V118 HydrophobicContact CG2-CG2 3.93Å; I108-L120 HydrophobicContact CD1-CD1 4.36Å; I108-L120 HydrophobicContact CD1-CD2 3.94Å; I108-L120 HydrophobicContact CG1-CD2 4.39Å; I108-Y203 HydrophobicContact CD1-CD1 3.63Å; I108-Y203 HydrophobicContact CD1-CD2 4.47Å; I108-Y203 HydrophobicContact CD1-CE1 3.79Å; I108-Y203 HydrophobicContact CD1-CG 4Å; I108-K206 HydrophobicContact CB-CD 4.32Å; I108-K206 HydrophobicContact CG2-CD 3.62Å; I108-N208 PolarHBondContact O-ND2 2.85Å; I108-V209 HydrophobicContact CG2-CG2 3.86Å
109D97.6Very high97.8Very high57 Ų5729 Ų2931%0.30517%0.166SC..Hα-helixtrans-67.2-43177.3-69.1-25000111.4E105 L107 Y111 A112 E113 K206E105-D109 PolarHBondContact O-N 3.4Å; L107-D109 VanDerWaalsContact C-N 3.29Å; L107-D109 PolarHBondContact O-N 2.88Å; D109-Y111 VanDerWaalsContact C-N 3.33Å; D109-Y111 PolarHBondContact O-N 2.91Å; D109-A112 WeakPolarHBondContact O-CA 3.04Å; D109-A112 VanDerWaalsContact O-CB 3.26Å; D109-A112 WeakPolarHBondContact O-CB 3.42Å; D109-A112 PolarHBondContact O-N 3.03Å; D109-A112 VanDerWaalsContact O-N 3.08Å; D109-E113 WeakPolarHBondContact O-CG 3.29Å; D109-E113 PolarHBondContact O-N 2.77Å; D109-K206 WeakPolarHBondContact OD1-CE 3.3Å; D109-K206 IonicContact OD1-NZ 2.89Å; D109-K206 PolarHBondContact OD1-NZ 3.06Å; D109-K206 IonicContact OD2-NZ 3.51Å; D109-K206 PolarHBondContact OD2-NZ 3.23Å
110L96.8Very high97.8Very high20 Ų2024.3 Ų24.311%0.10514%0.137CC..Hα-helixtrans-60.1-40.9175.5179.662.1000112.4W64 I66 I69 S106 L107 E113 H114W64-L110 HydrophobicContact CE3-CD2 3.94Å; W64-L110 HydrophobicContact CZ3-CD2 4.46Å; I66-L110 HydrophobicContact CG1-CD1 4.37Å; I69-L110 HydrophobicContact CD1-CD1 4.43Å; I69-L110 HydrophobicContact CD1-CD2 3.46Å; I69-L110 VanDerWaalsContact CD1-CD2 3.46Å; I69-L110 HydrophobicContact CD1-CG 3.69Å; S106-L110 WeakPolarHBondContact O-CB 3.43Å; S106-L110 PolarHBondContact O-N 2.92Å; L107-L110 PolarHBondContact O-N 3.42Å; L110-E113 PolarHBondContact O-N 2.76Å; L110-H114 PolarHBondContact O-ND1 3.49Å
111Y97.2Very high97.8Very high2 Ų224 Ų241%0.00814%0.135CC..Hα-helixtrans-66.9-38.3173.8-66-33.1000111.9I69 I80 L82 L107 I108 D109 E113 H114 G115 I116 V118I69-Y111 HydrophobicContact CD1-CD1 4.12Å; I69-Y111 HydrophobicContact CD1-CE1 3.9Å; I69-Y111 HydrophobicContact CG1-CD1 4.44Å; I69-Y111 HydrophobicContact CG1-CE1 4.1Å; I80-Y111 HydrophobicContact CD1-CD1 3.85Å; I80-Y111 HydrophobicContact CD1-CD2 4.16Å; I80-Y111 HydrophobicContact CD1-CE1 3.53Å; I80-Y111 HydrophobicContact CD1-CE2 3.85Å; I80-Y111 HydrophobicContact CD1-CG 4.16Å; I80-Y111 HydrophobicContact CG2-CE2 4.49Å; L82-Y111 HydrophobicContact CD1-CE2 4.31Å; L82-Y111 HydrophobicContact CD2-CE2 4.21Å; L107-Y111 HydrophobicContact CB-CE2 4.39Å; L107-Y111 VanDerWaalsContact O-CD2 3.26Å; L107-Y111 WeakPolarHBondContact O-CD2 3.3Å; L107-Y111 PolarHBondContact O-N 2.95Å; I108-Y111 PolarHBondContact O-N 3.22Å; D109-Y111 VanDerWaalsContact C-N 3.33Å; D109-Y111 PolarHBondContact O-N 2.91Å; Y111-E113 VanDerWaalsContact C-N 3.34Å; Y111-E113 PolarHBondContact O-N 3.44Å; Y111-H114 CarbonylContact O-C 3.51Å; Y111-H114 PolarHBondContact O-N 3Å; Y111-H114 VanDerWaalsContact O-N 3.13Å; Y111-G115 PolarHBondContact O-N 2.97Å; Y111-I116 CarbonylContact C-O 3.57Å; Y111-I116 HydrophobicContact CG-CG2 4.46Å; Y111-I116 WeakPolarHBondContact O-CB 3.12Å; Y111-I116 PolarHBondContact O-N 2.87Å; Y111-V118 HydrophobicContact CD2-CG1 3.67Å; Y111-V118 HydrophobicContact CG-CG1 4.43Å
112A97.2Very high97.8Very high10 Ų1023.8 Ų23.88%0.08313%0.134CC..Hα-helixtrans-57-48.7174.100000110.9F22 I108 D109 H114 G115 N208F22-A112 WeakPolarHBondContact CE2-O 3.48Å; F22-A112 VanDerWaalsContact CZ-C 3.46Å; F22-A112 HydrophobicContact CZ-CB 4.38Å; F22-A112 WeakPolarHBondContact CZ-O 3.32Å; I108-A112 PolarHBondContact O-N 3.41Å; D109-A112 WeakPolarHBondContact O-CA 3.04Å; D109-A112 VanDerWaalsContact O-CB 3.26Å; D109-A112 WeakPolarHBondContact O-CB 3.42Å; D109-A112 PolarHBondContact O-N 3.03Å; D109-A112 VanDerWaalsContact O-N 3.08Å; A112-H114 PolarHBondContact O-N 3.33Å; A112-G115 PolarHBondContact O-N 3.3Å; A112-N208 HydrophobicContact CB-CB 4Å; A112-N208 VanDerWaalsContact CB-CG 3.48Å; A112-N208 WeakPolarHBondContact CB-ND2 3.42Å; A112-N208 PolarHBondContact N-ND2 2.83Å
113E95.6Very high97.8Very high121 Ų12119.9 Ų19.957%0.56511%0.114SC*.Hα-helixtrans-55.1-25.7179.1-71.9176.3-169.300113.4F22 D109 L110 Y111F22-E113 VanDerWaalsContact CE2-CA 3.45Å; D109-E113 WeakPolarHBondContact O-CG 3.29Å; D109-E113 PolarHBondContact O-N 2.77Å; L110-E113 PolarHBondContact O-N 2.76Å; Y111-E113 VanDerWaalsContact C-N 3.34Å; Y111-E113 PolarHBondContact O-N 3.44Å
114H95.5Very high97.7Very high21 Ų2118.4 Ų18.410%0.09710%0.104CC..THydrogen-bonded Turntrans-101.610.2179-64.780.3000113.4I69 Q73 L110 Y111 A112 I116I69-H114 HydrophobicContact CG2-CB 3.54Å; Q73-H114 PolarHBondContact NE2-O 3.16Å; L110-H114 PolarHBondContact O-ND1 3.49Å; Y111-H114 CarbonylContact O-C 3.51Å; Y111-H114 PolarHBondContact O-N 3Å; Y111-H114 VanDerWaalsContact O-N 3.13Å; A112-H114 PolarHBondContact O-N 3.33Å; H114-I116 HydrophobicContact CB-CD1 4.33Å
115G95.4Very high97.4Very high30 Ų3019.4 Ų19.431%0.30911%0.11SC..THydrogen-bonded Turntrans74.824.3177.900000113.9Y111 A112Y111-G115 PolarHBondContact O-N 2.97Å; A112-G115 PolarHBondContact O-N 3.3Å
116I97.7Very high97.2Very high3 Ų317 Ų172%0.01510%0.099CC..  trans-105.7125.7-177.6-61.9171000110.1I69 I80 Y111 H114 N208I69-I116 HydrophobicContact CG2-CD1 3.98Å; I80-I116 HydrophobicContact CB-CG2 4.38Å; I80-I116 HydrophobicContact CD1-CG2 3.92Å; I80-I116 HydrophobicContact CG1-CG2 3.81Å; Y111-I116 CarbonylContact C-O 3.57Å; Y111-I116 HydrophobicContact CG-CG2 4.46Å; Y111-I116 WeakPolarHBondContact O-CB 3.12Å; Y111-I116 PolarHBondContact O-N 2.87Å; H114-I116 HydrophobicContact CB-CD1 4.33Å; I116-N208 PolarHBondContact O-ND2 3.42Å
117Y98.7Very high97.1Very high10 Ų1014.1 Ų14.14%0.0398%0.079CC..EExtended strand (participates in β ladder)trans-78.5158.4170.8-74.6-94.6000111.5L25 S26 I28 F46 N78 V79 I80 N208 L210L25-Y117 HydrophobicContact CB-CE1 4.19Å; L25-Y117 HydrophobicContact CB-CE2 4.25Å; L25-Y117 HydrophobicContact CD1-CD1 4.49Å; L25-Y117 HydrophobicContact CD1-CD2 3.81Å; L25-Y117 HydrophobicContact CD1-CE1 4.39Å; L25-Y117 HydrophobicContact CD1-CE2 3.73Å; L25-Y117 HydrophobicContact CD1-CG 4.22Å; L25-Y117 HydrophobicContact CD2-CE2 3.83Å; L25-Y117 HydrophobicContact CG-CE2 4.16Å; S26-Y117 PolarHBondContact N-OH 3.07Å; S26-Y117 VanDerWaalsContact O-CE1 3.32Å; S26-Y117 WeakPolarHBondContact O-CE1 3.16Å; S26-Y117 PolarHBondContact O-OH 3.37Å; I28-Y117 HydrophobicContact CD1-CE1 4.24Å; I28-Y117 HydrophobicContact CG1-CD1 4.29Å; I28-Y117 HydrophobicContact CG1-CE1 3.55Å; F46-Y117 HydrophobicContact CD1-CD2 4.3Å; F46-Y117 AromaticContact CE1-CD2 3.58Å; F46-Y117 HydrophobicContact CE1-CD2 3.58Å; F46-Y117 AromaticContact CE1-CE2 3.93Å; F46-Y117 HydrophobicContact CE1-CE2 3.93Å; F46-Y117 AromaticContact CE1-CG 3.91Å; F46-Y117 HydrophobicContact CE1-CG 3.91Å; N78-Y117 PolarHBondContact O-N 2.92Å; V79-Y117 CarbonylContact C-O 3.6Å; V79-Y117 VanDerWaalsContact CA-O 3.24Å; V79-Y117 WeakPolarHBondContact CA-O 3.18Å; I80-Y117 PolarHBondContact N-O 2.94Å; Y117-N208 CarbonylContact C-O 3.43Å; Y117-N208 VanDerWaalsContact CA-O 3.26Å; Y117-N208 WeakPolarHBondContact CA-O 3.22Å; Y117-N208 HydrophobicContact CD1-CB 4.4Å; Y117-N208 WeakPolarHBondContact CD1-O 3.49Å; Y117-L210 HydrophobicContact CD1-CB 4.28Å
118V98.7Very high97Very high0 Ų014.1 Ų14.10%08%0.079CC..EExtended strand (participates in β ladder)trans-124.3135.2173.9-60.40000111.7I80 L82 I108 Y111 L120 N208 V209 L210I80-V118 CarbonylContact O-C 3.58Å; I80-V118 VanDerWaalsContact O-CA 3.26Å; I80-V118 WeakPolarHBondContact O-CA 3.36Å; L82-V118 HydrophobicContact CD2-CG1 4.46Å; I108-V118 HydrophobicContact CG1-CG2 4.13Å; I108-V118 HydrophobicContact CG2-CG2 3.93Å; Y111-V118 HydrophobicContact CD2-CG1 3.67Å; Y111-V118 HydrophobicContact CG-CG1 4.43Å; V118-L120 HydrophobicContact CB-CD2 4.5Å; V118-L120 HydrophobicContact CG2-CD2 4.16Å; V118-N208 PolarHBondContact N-O 3.26Å; V118-V209 HydrophobicContact CG2-CB 4.25Å; V118-V209 HydrophobicContact CG2-CG2 3.77Å; V118-L210 WeakPolarHBondContact O-CB 3.02Å; V118-L210 PolarHBondContact O-N 2.95Å
119I98.9Very high96.9Very high0 Ų016.6 Ų16.60%010%0.096CC..EExtended strand (participates in β ladder)trans-99.7120.8161.5-58.3166.2000105.5V79 I80 R81 L82 D121 L210 D213 F261 F351V79-I119 HydrophobicContact CG2-CD1 4.14Å; V79-I119 HydrophobicContact CG2-CG1 4.12Å; I80-I119 PolarHBondContact O-N 3.36Å; R81-I119 CarbonylContact C-O 3.44Å; R81-I119 WeakPolarHBondContact CA-O 3.27Å; R81-I119 HydrophobicContact CB-CB 4.32Å; R81-I119 HydrophobicContact CG-CB 4.25Å; R81-I119 HydrophobicContact CG-CG2 4.31Å; L82-I119 PolarHBondContact N-O 3.11Å; I119-D121 PolarHBondContact O-N 2.84Å; I119-L210 HydrophobicContact CD1-CD2 4.21Å; I119-L210 HydrophobicContact CG1-CB 4.26Å; I119-L210 HydrophobicContact CG1-CD2 3.9Å; I119-L210 HydrophobicContact CG1-CG 4.39Å; I119-D213 HydrophobicContact CG2-CB 4.13Å; I119-F261 HydrophobicContact CD1-CD1 4.38Å; I119-F261 HydrophobicContact CD1-CE1 3.65Å; I119-F261 HydrophobicContact CD1-CE2 4.41Å; I119-F261 HydrophobicContact CD1-CZ 3.68Å; I119-F261 HydrophobicContact CG1-CE1 4.24Å; I119-F261 HydrophobicContact CG1-CE2 4.11Å; I119-F261 HydrophobicContact CG1-CZ 3.83Å; I119-F261 HydrophobicContact CG2-CD1 4.38Å; I119-F261 HydrophobicContact CG2-CD2 4.07Å; I119-F261 HydrophobicContact CG2-CE2 4.24Å; I119-F261 HydrophobicContact CG2-CG 4.15Å; I119-F261 HydrophobicContact CG2-CZ 4.47Å; I119-F351 HydrophobicContact CD1-CD1 4.44Å; I119-F351 HydrophobicContact CD1-CD2 4.34Å; I119-F351 HydrophobicContact CD1-CE1 4.07Å; I119-F351 HydrophobicContact CD1-CE2 3.96Å; I119-F351 HydrophobicContact CD1-CZ 3.83Å
120L98.9Very high96.8Very high0 Ų017 Ų170%09%0.093CC..EExtended strand (participates in β ladder)trans-87.3111.5178.8-63-176.6000109.1L82 I84 I108 V118 I199 Y203 V209 G211 Y212 D213L82-L120 HydrophobicContact CB-CD2 4.41Å; L82-L120 HydrophobicContact CD2-CD2 4.23Å; I84-L120 HydrophobicContact CG2-CB 3.88Å; I108-L120 HydrophobicContact CD1-CD1 4.36Å; I108-L120 HydrophobicContact CD1-CD2 3.94Å; I108-L120 HydrophobicContact CG1-CD2 4.39Å; V118-L120 HydrophobicContact CB-CD2 4.5Å; V118-L120 HydrophobicContact CG2-CD2 4.16Å; L120-I199 HydrophobicContact CD1-CG2 3.8Å; L120-Y203 HydrophobicContact CD1-CD2 3.7Å; L120-Y203 HydrophobicContact CD1-CE2 4.38Å; L120-Y203 HydrophobicContact CD1-CG 4.18Å; L120-V209 HydrophobicContact CD1-CG1 4.21Å; L120-V209 HydrophobicContact CG-CG1 4.38Å; L120-G211 PolarHBondContact N-O 3.47Å; L120-Y212 HydrophobicContact CB-CD1 4.29Å; L120-Y212 HydrophobicContact CD1-CD1 4.3Å; L120-Y212 HydrophobicContact CD1-CE1 4.11Å; L120-D213 PolarHBondContact O-N 2.8Å
121D98.8Very high96.6Very high0 Ų016.4 Ų16.40%09%0.09CC..EExtended strand (participates in β ladder)trans-100.7119.9-173.8169.730000112.3R81 L82 I84 I119 H123 D213R81-D121 HydrophobicContact CG-CB 3.89Å; R81-D121 IonicContact CZ-OD1 3.64Å; R81-D121 IonicContact CZ-OD2 2.8Å; R81-D121 VanDerWaalsContact CZ-OD2 3.3Å; R81-D121 IonicContact NE-OD2 2.77Å; R81-D121 IonicContact NH1-OD2 2.58Å; R81-D121 PolarHBondContact NH1-OD2 3Å; R81-D121 VanDerWaalsContact NH1-OD2 3.16Å; R81-D121 IonicContact NH2-OD1 3.74Å; R81-D121 PolarHBondContact NH2-OD1 2.91Å; R81-D121 IonicContact NH2-OD2 3.56Å; L82-D121 PolarHBondContact O-N 3.17Å; I84-D121 PolarHBondContact N-O 3.04Å; I119-D121 PolarHBondContact O-N 2.84Å; D121-H123 PolarHBondContact O-N 3.46Å; D121-H123 PolarHBondContact OD1-N 3.44Å; D121-H123 VanDerWaalsContact OD2-CB 3.3Å; D121-H123 WeakPolarHBondContact OD2-CB 3.46Å; D121-H123 IonicContact OD2-CE1 2.78Å; D121-H123 IonicContact OD2-CG 2.8Å; D121-H123 IonicContact OD2-ND1 3.77Å; D121-H123 PolarHBondContact OD2-ND1 2.97Å; D121-D213 HydrophobicContact CB-CB 4.15Å
122M98.7Very high96.3Very high0 Ų018.2 Ų18.20%011%0.109CC..  trans-76.881.9165.9-169.5-166.481.900110.1W86 I137 W192 F195 W196 D213 L214 I215 N216W86-M122 HydrophobicContact CB-CG 4.32Å; W86-M122 HydrophobicContact CB-SD 4.44Å; W86-M122 HydrophobicContact CD2-SD 4.33Å; W86-M122 HydrophobicContact CE3-CE 4.28Å; W86-M122 HydrophobicContact CE3-SD 3.61Å; W86-M122 HydrophobicContact CZ3-SD 4.28Å; M122-I137 HydrophobicContact CE-CD1 4Å; M122-W192 HydrophobicContact CE-CZ2 3.76Å; M122-W192 PolarHBondContact SD-NE1 3.01Å; M122-F195 HydrophobicContact CB-CE1 3.71Å; M122-F195 HydrophobicContact CB-CZ 3.96Å; M122-F195 HydrophobicContact CG-CD1 4.31Å; M122-F195 HydrophobicContact CG-CE1 3.46Å; M122-F195 VanDerWaalsContact CG-CE1 3.46Å; M122-F195 HydrophobicContact CG-CZ 3.65Å; M122-F195 HydrophobicContact SD-CD1 3.88Å; M122-F195 HydrophobicContact SD-CE1 3.6Å; M122-F195 VanDerWaalsContact SD-CE1 3.6Å; M122-F195 HydrophobicContact SD-CZ 4.29Å; M122-W196 HydrophobicContact CB-CH2 4.05Å; M122-W196 HydrophobicContact CB-CZ2 3.49Å; M122-W196 VanDerWaalsContact CB-CZ2 3.49Å; M122-D213 PolarHBondContact N-O 3.13Å; M122-D213 VanDerWaalsContact N-O 3.12Å; M122-L214 WeakPolarHBondContact CE-O 3.46Å; M122-I215 HydrophobicContact CE-CB 3.62Å; M122-I215 HydrophobicContact CE-CD1 3.95Å; M122-I215 HydrophobicContact CE-CG1 3.73Å; M122-N216 PolarHBondContact O-N 2.98Å
123H98.2Very high96Very high0 Ų019 Ų190%011%0.113CC..  trans-73.8134.7-171-157.875.7000113.2V52 M85 D121 D125 Y134 N216 W389V52-H123 HydrophobicContact CG1-CB 3.9Å; M85-H123 WeakPolarHBondContact CE-O 3.15Å; M85-H123 HydrophobicContact SD-CB 3.84Å; D121-H123 PolarHBondContact O-N 3.46Å; D121-H123 PolarHBondContact OD1-N 3.44Å; D121-H123 VanDerWaalsContact OD2-CB 3.3Å; D121-H123 WeakPolarHBondContact OD2-CB 3.46Å; D121-H123 IonicContact OD2-CE1 2.78Å; D121-H123 IonicContact OD2-CG 2.8Å; D121-H123 IonicContact OD2-ND1 3.77Å; D121-H123 PolarHBondContact OD2-ND1 2.97Å; H123-D125 IonicContact NE2-OD1 2.9Å; H123-D125 IonicContact NE2-OD2 2.7Å; H123-D125 PolarHBondContact NE2-OD2 2.86Å; H123-Y134 PolarHBondContact CD2-OH 3.01Å; H123-N216 PolarHBondContact CE1-ND2 2.93Å; H123-N216 PolarHBondContact CE1-OD1 2.92Å; H123-N216 VanDerWaalsContact CE1-OD1 3.28Å; H123-N216 PolarHBondContact ND1-OD1 3.48Å; H123-W389 AromaticContact CE1-CH2 3.07Å; H123-W389 WeakPolarHBondContact CE1-CH2 3.49Å; H123-W389 AromaticContact CE1-CZ3 3.11Å; H123-W389 WeakPolarHBondContact CE1-CZ3 3.12Å; H123-W389 AromaticContact ND1-CZ3 3.86Å; H123-W389 AromaticContact NE2-CH2 3.07Å; H123-W389 WeakPolarHBondContact NE2-CH2 2.88Å; H123-W389 AromaticContact NE2-CZ2 3.96Å; H123-W389 AromaticContact NE2-CZ3 3.67Å
124Q96.3Very high96Very high0 Ų013.7 Ų13.70%09%0.088CC..  trans-154.4143.1173.272.780.43700110.7Y134 Y169 I215 N216 E217Q124-Y134 VanDerWaalsContact CA-OH 3.22Å; Q124-Y134 WeakPolarHBondContact CA-OH 3.28Å; Q124-Y169 PolarHBondContact NE2-OH 3.38Å; Q124-Y169 VanDerWaalsContact NE2-OH 3.16Å; Q124-I215 HydrophobicContact CG-CD1 3.95Å; Q124-I215 HydrophobicContact CG-CG1 3.73Å; Q124-N216 WeakPolarHBondContact CG-O 3.27Å; Q124-N216 PolarHBondContact NE2-O 2.95Å; Q124-N216 PolarHBondContact O-ND2 3.47Å; Q124-N216 VanDerWaalsContact O-ND2 3.16Å; Q124-E217 PolarHBondContact NE2-O 3.3Å
125D92.9Very high96.1Very high21 Ų2114.8 Ų14.811%0.1129%0.094CC..SBendtrans-136104.5169.3-56.2-53.8000108.8K54 H123 T133 Y134 Y169 N216K54-D125 WeakPolarHBondContact CE-OD2 3.42Å; K54-D125 IonicContact NZ-OD2 2.57Å; K54-D125 PolarHBondContact NZ-OD2 2.91Å; H123-D125 IonicContact NE2-OD1 2.9Å; H123-D125 IonicContact NE2-OD2 2.7Å; H123-D125 PolarHBondContact NE2-OD2 2.86Å; D125-T133 VanDerWaalsContact O-CB 3.31Å; D125-T133 WeakPolarHBondContact O-CB 3.42Å; D125-T133 WeakPolarHBondContact O-CG2 3.23Å; D125-T133 PolarHBondContact O-OG1 3.06Å; D125-Y134 HydrophobicContact CB-CE1 3.95Å; D125-Y134 PolarHBondContact N-OH 3.48Å; D125-Y134 PolarHBondContact OD2-OH 3.3Å; D125-Y134 VanDerWaalsContact OD2-OH 3.1Å; D125-Y169 WeakPolarHBondContact CA-OH 3.5Å; D125-N216 PolarHBondContact OD1-ND2 3.47Å
126G93.5Very high96.2Very high1 Ų113.3 Ų13.31%0.018%0.079CC..SBendtrans77.124.6-177.700000114.3S128 Y131 T133 Y169G126-S128 VanDerWaalsContact C-N 3.3Å; G126-S128 PolarHBondContact O-N 3.02Å; G126-Y131 WeakPolarHBondContact O-CD2 3.38Å; G126-T133 PolarHBondContact O-OG1 3.44Å; G126-Y169 VanDerWaalsContact N-CZ 3.28Å; G126-Y169 PolarHBondContact N-OH 3.46Å; G126-Y169 VanDerWaalsContact N-OH 3.11Å
127L96.2Very high96.2Very high1 Ų113.2 Ų13.21%0.0058%0.079CC..SBendtrans64.7-59.5173.3-48.3170.4000116.8Y131 G136 I137 C174 A178 L181 P219L127-Y131 HydrophobicContact CB-CD2 3.85Å; L127-Y131 HydrophobicContact CB-CE2 3.85Å; L127-Y131 HydrophobicContact CD1-CD2 4.21Å; L127-Y131 HydrophobicContact CD1-CE2 3.8Å; L127-Y131 HydrophobicContact CG-CE2 4.46Å; L127-G136 PolarHBondContact O-N 3.44Å; L127-I137 HydrophobicContact CB-CG1 4.09Å; L127-I137 HydrophobicContact CD2-CG1 3.87Å; L127-I137 WeakPolarHBondContact O-CA 3.38Å; L127-I137 WeakPolarHBondContact O-CB 3.37Å; L127-I137 PolarHBondContact O-N 3.08Å; L127-C174 WeakPolarHBondContact CD1-O 3.5Å; L127-A178 HydrophobicContact CD1-CB 4.01Å; L127-L181 HydrophobicContact CD2-CD2 4.37Å; L127-P219 HydrophobicContact CD2-CG 4.16Å
128S96.4Very high96.2Very high0 Ų012.8 Ų12.80%08%0.077CC..  trans-160.9160.5-168.91720000113.6G126 R130 Y131 T133 Y134 D135G126-S128 VanDerWaalsContact C-N 3.3Å; G126-S128 PolarHBondContact O-N 3.02Å; S128-R130 PolarHBondContact O-N 2.88Å; S128-R130 PolarHBondContact OG-N 3.08Å; S128-Y131 PolarHBondContact O-N 3.23Å; S128-T133 PolarHBondContact O-OG1 2.67Å; S128-Y134 CarbonylContact C-O 3.57Å; S128-Y134 WeakPolarHBondContact CA-O 3.39Å; S128-D135 PolarHBondContact OG-OD1 3.09Å
129S95.5Very high96.2Very high52 Ų5215.4 Ų15.436%0.3649%0.091SC..G310 helixtrans-53-23168.663.20000114.6Y131 G132 T133 D135S129-Y131 PolarHBondContact O-N 3.43Å; S129-G132 PolarHBondContact O-N 3.24Å; S129-G132 VanDerWaalsContact O-N 3.15Å; S129-T133 VanDerWaalsContact CA-O 3.25Å; S129-T133 WeakPolarHBondContact CA-O 3.44Å; S129-D135 VanDerWaalsContact CB-OD1 3.29Å; S129-D135 WeakPolarHBondContact CB-OD1 3.28Å; S129-D135 PolarHBondContact N-OD1 3.14Å; S129-D135 PolarHBondContact OG-OD1 3.46Å; S129-D135 PolarHBondContact OG-OD2 2.8Å
130R95.1Very high96.1Very high66 Ų6616.9 Ų16.925%0.24910%0.097CC..G310 helixtrans-54.4-36.2168.6169.7157.7-75.2104.721.4112.1S128 L139 I142 N143S128-R130 PolarHBondContact O-N 2.88Å; S128-R130 PolarHBondContact OG-N 3.08Å; R130-L139 HydrophobicContact CB-CD1 4.08Å; R130-I142 HydrophobicContact CB-CG2 3.73Å; R130-I142 HydrophobicContact CG-CG2 4.13Å; R130-I142 VanDerWaalsContact NH1-CG2 3.31Å; R130-I142 PolarHBondContact NH1-O 3.31Å; R130-N143 VanDerWaalsContact NH1-CA 3.26Å; R130-N143 VanDerWaalsContact NH1-N 3.14Å; R130-N143 PolarHBondContact NH1-OD1 2.76Å; R130-N143 PolarHBondContact NH2-OD1 3.39Å
131Y93.6Very high96.1Very high6 Ų616.9 Ų16.92%0.02410%0.097CC..G310 helixtrans-100.614.8-176.3-45.6-60.5000112.2G126 L127 S128 S129 I142 E154 Y168 E173 C174 G177G126-Y131 WeakPolarHBondContact O-CD2 3.38Å; L127-Y131 HydrophobicContact CB-CD2 3.85Å; L127-Y131 HydrophobicContact CB-CE2 3.85Å; L127-Y131 HydrophobicContact CD1-CD2 4.21Å; L127-Y131 HydrophobicContact CD1-CE2 3.8Å; L127-Y131 HydrophobicContact CG-CE2 4.46Å; S128-Y131 PolarHBondContact O-N 3.23Å; S129-Y131 PolarHBondContact O-N 3.43Å; Y131-I142 HydrophobicContact CE2-CD1 4.26Å; Y131-I142 HydrophobicContact CE2-CG2 3.89Å; Y131-I142 WeakPolarHBondContact OH-CG2 3.45Å; Y131-E154 HydrophobicContact CD1-CG 4.31Å; Y131-Y168 WeakPolarHBondContact O-CD1 3.26Å; Y131-Y168 WeakPolarHBondContact O-CE1 3.46Å; Y131-E173 HydrophobicContact CD1-CB 4.14Å; Y131-E173 HydrophobicContact CD1-CG 4.29Å; Y131-E173 HydrophobicContact CE1-CB 4.1Å; Y131-E173 HydrophobicContact CE1-CG 3.86Å; Y131-E173 WeakPolarHBondContact CE1-O 3.15Å; Y131-C174 HydrophobicContact CD1-CB 4.04Å; Y131-C174 HydrophobicContact CD2-CB 4.33Å; Y131-C174 HydrophobicContact CG-CB 3.85Å; Y131-G177 WeakPolarHBondContact OH-CA 3.26Å
132G89.7Confident96.1Very high41 Ų4117 Ų1742%0.42310%0.097SC..THydrogen-bonded Turntrans89.711.8174.600000115.9S129 Y168S129-G132 PolarHBondContact O-N 3.24Å; S129-G132 VanDerWaalsContact O-N 3.15Å; G132-Y168 WeakPolarHBondContact O-CE1 3.19Å; G132-Y168 PolarHBondContact O-OH 2.89Å; G132-Y168 VanDerWaalsContact O-OH 3.12Å
133T92.2Very high96Very high25 Ų2520.8 Ų20.815%0.15312%0.118CC..SBendtrans-114.2-143.7174.769.90000111.9D125 G126 S128 S129 Y168D125-T133 VanDerWaalsContact O-CB 3.31Å; D125-T133 WeakPolarHBondContact O-CB 3.42Å; D125-T133 WeakPolarHBondContact O-CG2 3.23Å; D125-T133 PolarHBondContact O-OG1 3.06Å; G126-T133 PolarHBondContact O-OG1 3.44Å; S128-T133 PolarHBondContact O-OG1 2.67Å; S129-T133 VanDerWaalsContact CA-O 3.25Å; S129-T133 WeakPolarHBondContact CA-O 3.44Å; T133-Y168 HydrophobicContact CG2-CD1 4.13Å; T133-Y168 HydrophobicContact CG2-CD2 3.23Å; T133-Y168 HydrophobicContact CG2-CE1 4.08Å; T133-Y168 HydrophobicContact CG2-CE2 3.34Å; T133-Y168 HydrophobicContact CG2-CG 3.69Å
134Y94.9Very high96Very high10 Ų1026.2 Ų26.24%0.03914%0.143CC..  trans-107.9164.4173.865.5-83.4000110K54 Y55 M85 H123 Q124 D125 S128 G136K54-Y134 HydrophobicContact CB-CD1 3.95Å; K54-Y134 HydrophobicContact CB-CD2 3.79Å; K54-Y134 HydrophobicContact CB-CE1 4.04Å; K54-Y134 HydrophobicContact CB-CE2 3.89Å; K54-Y134 HydrophobicContact CB-CG 3.82Å; K54-Y134 HydrophobicContact CD-CD1 3.96Å; K54-Y134 HydrophobicContact CD-CE1 3.45Å; K54-Y134 VanDerWaalsContact CD-CE1 3.45Å; K54-Y134 HydrophobicContact CG-CD1 4.24Å; K54-Y134 HydrophobicContact CG-CD2 4.39Å; K54-Y134 HydrophobicContact CG-CE1 3.82Å; K54-Y134 HydrophobicContact CG-CE2 3.99Å; K54-Y134 WeakPolarHBondContact O-CD2 3.48Å; Y55-Y134 VanDerWaalsContact CE1-CB 3.49Å; M85-Y134 HydrophobicContact CE-CD2 3.95Å; M85-Y134 HydrophobicContact CE-CE2 3.5Å; H123-Y134 PolarHBondContact CD2-OH 3.01Å; Q124-Y134 VanDerWaalsContact CA-OH 3.22Å; Q124-Y134 WeakPolarHBondContact CA-OH 3.28Å; D125-Y134 HydrophobicContact CB-CE1 3.95Å; D125-Y134 PolarHBondContact N-OH 3.48Å; D125-Y134 PolarHBondContact OD2-OH 3.3Å; D125-Y134 VanDerWaalsContact OD2-OH 3.1Å; S128-Y134 CarbonylContact C-O 3.57Å; S128-Y134 WeakPolarHBondContact CA-O 3.39Å; Y134-G136 VanDerWaalsContact C-N 3.29Å; Y134-G136 PolarHBondContact O-N 2.86Å
135D97.4Very high96.1Very high44 Ų4426.8 Ų26.824%0.23515%0.145CC..  trans-79.271.8-178.6-63-37.3000112.6S87 S128 S129S87-D135 VanDerWaalsContact CB-O 3.28Å; S87-D135 WeakPolarHBondContact CB-O 3.46Å; S87-D135 WeakPolarHBondContact OG-CB 3.32Å; S87-D135 PolarHBondContact OG-O 2.94Å; S128-D135 PolarHBondContact OG-OD1 3.09Å; S129-D135 VanDerWaalsContact CB-OD1 3.29Å; S129-D135 WeakPolarHBondContact CB-OD1 3.28Å; S129-D135 PolarHBondContact N-OD1 3.14Å; S129-D135 PolarHBondContact OG-OD1 3.46Å; S129-D135 PolarHBondContact OG-OD2 2.8Å
136G97.4Very high96.3Very high0 Ų033.8 Ų33.80%018%0.175CC..SBendtrans-64.8-46.716800000111.3W86 L127 Y134W86-G136 WeakPolarHBondContact CB-O 3.32Å; L127-G136 PolarHBondContact O-N 3.44Å; Y134-G136 VanDerWaalsContact C-N 3.29Å; Y134-G136 PolarHBondContact O-N 2.86Å
137I98.3Very high96.5Very high0 Ų039.5 Ų39.50%020%0.196CC..SBendtrans-93.4129.7161.5-49-56.5000107.9W86 M122 L127 L139 L141 I142 L181W86-I137 HydrophobicContact CE3-CD1 3.81Å; W86-I137 HydrophobicContact CE3-CG2 4.36Å; W86-I137 HydrophobicContact CZ3-CD1 3.9Å; W86-I137 HydrophobicContact CZ3-CG2 4.13Å; M122-I137 HydrophobicContact CE-CD1 4Å; L127-I137 HydrophobicContact CB-CG1 4.09Å; L127-I137 HydrophobicContact CD2-CG1 3.87Å; L127-I137 WeakPolarHBondContact O-CA 3.38Å; L127-I137 WeakPolarHBondContact O-CB 3.37Å; L127-I137 PolarHBondContact O-N 3.08Å; I137-L139 PolarHBondContact O-N 2.92Å; I137-L141 HydrophobicContact CG2-CD2 4.05Å; I137-I142 HydrophobicContact CB-CD1 4.21Å; I137-I142 HydrophobicContact CB-CG1 4.29Å; I137-I142 HydrophobicContact CG2-CD1 3.8Å; I137-I142 HydrophobicContact CG2-CG1 4Å; I137-L181 HydrophobicContact CD1-CD2 4.25Å; I137-L181 HydrophobicContact CG1-CD2 4.42Å
138P98.3Very high96.5Very high1 Ų140.1 Ų40.11%0.00620%0.2CC..  trans-60.9134.1-173.4-24.132.3000113.8W86 S87 W140 L141 I142W86-P138 HydrophobicContact CB-CG 4.1Å; W86-P138 VanDerWaalsContact CD1-CG 3.49Å; W86-P138 VanDerWaalsContact CD2-CD 3.42Å; W86-P138 HydrophobicContact CD2-CG 3.91Å; W86-P138 VanDerWaalsContact CG-CD 3.47Å; W86-P138 HydrophobicContact CG-CG 3.56Å; S87-P138 WeakPolarHBondContact OG-CA 3.3Å; P138-W140 VanDerWaalsContact CB-CD1 3.41Å; P138-W140 HydrophobicContact CB-CD2 4.16Å; P138-W140 HydrophobicContact CB-CG 4.08Å; P138-W140 HydrophobicContact CB-CZ2 4.13Å; P138-W140 HydrophobicContact CG-CZ2 4.13Å; P138-W140 PolarHBondContact O-N 3.05Å; P138-W140 VanDerWaalsContact O-N 3.11Å; P138-L141 WeakPolarHBondContact O-CB 3.48Å; P138-L141 PolarHBondContact O-N 3.17Å; P138-I142 PolarHBondContact O-N 2.83Å
139L98.1Very high96.6Very high55 Ų5544.2 Ų44.229%0.28823%0.227SC..Hα-helixtrans-55.9-33.7180-17760.7000112.5R130 I137 L141 I142 N143R130-L139 HydrophobicContact CB-CD1 4.08Å; I137-L139 PolarHBondContact O-N 2.92Å; L139-L141 PolarHBondContact O-N 3.3Å; L139-I142 PolarHBondContact O-N 2.92Å; L139-N143 WeakPolarHBondContact O-CB 3.23Å; L139-N143 PolarHBondContact O-N 3.42Å; L139-N143 PolarHBondContact O-ND2 2.57Å; L139-N143 PolarHBondContact O-OD1 3.09Å
140W98.3Very high96.6Very high31 Ų3147.4 Ų47.412%0.11724%0.244CC..Hα-helixtrans-62-31.4177.663.1-102.9000112.8K90 N92 I93 P138 Q144 H191K90-W140 HydrophobicContact CB-CZ2 4.3Å; K90-W140 PolarHBondContact O-NE1 3.29Å; N92-W140 VanDerWaalsContact CA-CD1 3.48Å; I93-W140 HydrophobicContact CB-CD2 4.19Å; I93-W140 HydrophobicContact CB-CE3 3.74Å; I93-W140 HydrophobicContact CB-CH2 4.27Å; I93-W140 HydrophobicContact CB-CZ3 3.79Å; I93-W140 HydrophobicContact CD1-CE3 4.45Å; I93-W140 HydrophobicContact CD1-CZ3 4.11Å; I93-W140 HydrophobicContact CG1-CE3 4.14Å; I93-W140 HydrophobicContact CG1-CH2 4.18Å; I93-W140 HydrophobicContact CG1-CZ3 3.71Å; P138-W140 VanDerWaalsContact CB-CD1 3.41Å; P138-W140 HydrophobicContact CB-CD2 4.16Å; P138-W140 HydrophobicContact CB-CG 4.08Å; P138-W140 HydrophobicContact CB-CZ2 4.13Å; P138-W140 HydrophobicContact CG-CZ2 4.13Å; P138-W140 PolarHBondContact O-N 3.05Å; P138-W140 VanDerWaalsContact O-N 3.11Å; W140-Q144 WeakPolarHBondContact O-CG 3.45Å; W140-H191 HydrophobicContact CH2-CB 3.89Å; W140-H191 AromaticContact CH2-CG 3.78Å; W140-H191 HydrophobicContact CZ3-CB 4.44Å; W140-H191 AromaticContact CZ3-CD2 3.93Å; W140-H191 AromaticContact CZ3-CG 3.95Å
141L98.5Very high96.7Very high0 Ų050.8 Ų50.80%027%0.266CS..Hα-helixtrans-77.7-47.5175175.757.1000110.1W86 I137 P138 L139 N143 Q144 F145 A188 H191W86-L141 HydrophobicContact CH2-CD2 3.49Å; W86-L141 VanDerWaalsContact CH2-CD2 3.49Å; W86-L141 HydrophobicContact CZ2-CD2 3.77Å; W86-L141 HydrophobicContact CZ3-CD2 4.34Å; I137-L141 HydrophobicContact CG2-CD2 4.05Å; P138-L141 WeakPolarHBondContact O-CB 3.48Å; P138-L141 PolarHBondContact O-N 3.17Å; L139-L141 PolarHBondContact O-N 3.3Å; L141-N143 PolarHBondContact O-N 3.38Å; L141-Q144 WeakPolarHBondContact O-CB 3.04Å; L141-Q144 PolarHBondContact O-N 3.41Å; L141-F145 HydrophobicContact CD1-CE1 4.01Å; L141-F145 HydrophobicContact CD1-CZ 4.42Å; L141-F145 HydrophobicContact CG-CE1 4.18Å; L141-F145 HydrophobicContact CG-CZ 4.15Å; L141-A188 HydrophobicContact CD1-CB 4.22Å; L141-A188 HydrophobicContact CD2-CB 4.32Å; L141-H191 HydrophobicContact CD2-CB 4.47Å
142I98.3Very high96.9Very high2 Ų252.4 Ų52.41%0.0127%0.274CS..Hα-helixtrans-59.4-29.3177.7-61.7-61.9000111.3R130 Y131 I137 P138 L139 Q144 F145R130-I142 HydrophobicContact CB-CG2 3.73Å; R130-I142 HydrophobicContact CG-CG2 4.13Å; R130-I142 VanDerWaalsContact NH1-CG2 3.31Å; R130-I142 PolarHBondContact NH1-O 3.31Å; Y131-I142 HydrophobicContact CE2-CD1 4.26Å; Y131-I142 HydrophobicContact CE2-CG2 3.89Å; Y131-I142 WeakPolarHBondContact OH-CG2 3.45Å; I137-I142 HydrophobicContact CB-CD1 4.21Å; I137-I142 HydrophobicContact CB-CG1 4.29Å; I137-I142 HydrophobicContact CG2-CD1 3.8Å; I137-I142 HydrophobicContact CG2-CG1 4Å; P138-I142 PolarHBondContact O-N 2.83Å; L139-I142 PolarHBondContact O-N 2.92Å; I142-Q144 PolarHBondContact O-N 2.8Å; I142-F145 HydrophobicContact CD1-CD2 3.86Å; I142-F145 HydrophobicContact CD1-CE2 3.55Å; I142-F145 HydrophobicContact CD1-CZ 4.4Å; I142-F145 WeakPolarHBondContact O-CB 3.35Å; I142-F145 PolarHBondContact O-N 3.36Å
143N97.8Very high97.2Very high81 Ų8152 Ų5243%0.43326%0.261SS..THydrogen-bonded Turntrans-67-20.1172.9-72.6-12.9000114R130 L139 L141R130-N143 VanDerWaalsContact NH1-CA 3.26Å; R130-N143 VanDerWaalsContact NH1-N 3.14Å; R130-N143 PolarHBondContact NH1-OD1 2.76Å; R130-N143 PolarHBondContact NH2-OD1 3.39Å; L139-N143 WeakPolarHBondContact O-CB 3.23Å; L139-N143 PolarHBondContact O-N 3.42Å; L139-N143 PolarHBondContact O-ND2 2.57Å; L139-N143 PolarHBondContact O-OD1 3.09Å; L141-N143 PolarHBondContact O-N 3.38Å
144Q97.9Very high97.2Very high114 Ų11452.7 Ų52.753%0.53326%0.263SS..THydrogen-bonded Turntrans-88.3-7.3177-54.5-56.6-48.100112.8W140 L141 I142 S186W140-Q144 WeakPolarHBondContact O-CG 3.45Å; L141-Q144 WeakPolarHBondContact O-CB 3.04Å; L141-Q144 PolarHBondContact O-N 3.41Å; I142-Q144 PolarHBondContact O-N 2.8Å; Q144-S186 PolarHBondContact O-OG 2.93Å
145F98.2Very high97.1Very high12 Ų1254.1 Ų54.15%0.05327%0.274CS..SBendtrans-78.6145.6176.9-67.7-5.7000110.4L141 I142 R147 G177 Q180 L181 V185 A188L141-F145 HydrophobicContact CD1-CE1 4.01Å; L141-F145 HydrophobicContact CD1-CZ 4.42Å; L141-F145 HydrophobicContact CG-CE1 4.18Å; L141-F145 HydrophobicContact CG-CZ 4.15Å; I142-F145 HydrophobicContact CD1-CD2 3.86Å; I142-F145 HydrophobicContact CD1-CE2 3.55Å; I142-F145 HydrophobicContact CD1-CZ 4.4Å; I142-F145 WeakPolarHBondContact O-CB 3.35Å; I142-F145 PolarHBondContact O-N 3.36Å; F145-R147 PolarHBondContact O-N 3.18Å; F145-G177 VanDerWaalsContact CE2-O 3.31Å; F145-G177 WeakPolarHBondContact CE2-O 3.35Å; F145-Q180 HydrophobicContact CB-CB 4.46Å; F145-Q180 HydrophobicContact CD1-CB 4.24Å; F145-Q180 HydrophobicContact CD2-CB 3.88Å; F145-Q180 HydrophobicContact CE1-CB 4.48Å; F145-Q180 HydrophobicContact CE2-CB 4.12Å; F145-Q180 HydrophobicContact CG-CB 3.95Å; F145-Q180 HydrophobicContact CZ-CB 4.42Å; F145-L181 HydrophobicContact CE2-CB 4.17Å; F145-L181 HydrophobicContact CZ-CB 4.11Å; F145-L181 HydrophobicContact CZ-CD1 4.48Å; F145-V185 HydrophobicContact CD1-CB 4.43Å; F145-V185 HydrophobicContact CD1-CG1 4.28Å; F145-A188 HydrophobicContact CE1-CB 4.02Å; F145-A188 HydrophobicContact CZ-CB 4.05Å
146K97.2Very high97Very high167 Ų16756 Ų5673%0.72628%0.277SS*.PPolyproline II helixtrans-69.1125.4176.3-176.4-179.3177.4-175.50108.6Q180K146-Q180 PolarHBondContact O-NE2 3.19Å
147R96.9Very high96.9Very high122 Ų12258.7 Ų58.746%0.4630%0.295SS..PPolyproline II helixtrans-76.4143.7174.9-60-16573.7-158.6-0.5111F145 Q153 E173F145-R147 PolarHBondContact O-N 3.18Å; R147-Q153 VanDerWaalsContact CZ-CD 3.41Å; R147-E173 IonicContact CZ-OE1 3.27Å; R147-E173 VanDerWaalsContact CZ-OE1 3.29Å; R147-E173 IonicContact NE-OE1 2.71Å; R147-E173 PolarHBondContact NE-OE1 3.42Å; R147-E173 IonicContact NH2-OE1 3.31Å; R147-E173 PolarHBondContact NH2-OE1 3.12Å; R147-E173 IonicContact NH2-OE2 3.41Å; R147-E173 PolarHBondContact NH2-OE2 3.46Å
148P97Very high96.7Very high14 Ų1461.8 Ų61.89%0.09131%0.307CS..PPolyproline II helixtrans-71.3168.3170.832.3-35.2000111L152 Q153 Y172 E173P148-L152 HydrophobicContact CB-CB 4.19Å; P148-Q153 HydrophobicContact CG-CG 3.95Å; P148-Q153 PolarHBondContact O-NE2 2.71Å; P148-Y172 HydrophobicContact CB-CD1 3.9Å; P148-Y172 HydrophobicContact CB-CE1 3.62Å; P148-Y172 HydrophobicContact CG-CD1 4.01Å; P148-Y172 HydrophobicContact CG-CE1 4.18Å; P148-E173 HydrophobicContact CG-CB 4.39Å; P148-E173 HydrophobicContact CG-CG 3.78Å
149P97.5Very high96.4Very high86 Ų8671.2 Ų71.256%0.55835%0.351SS*.PPolyproline II helixtrans-50.4144.6169.9-25.734.9000111.5I151 L152 Q153P149-I151 HydrophobicContact CB-CG2 4.42Å; P149-I151 PolarHBondContact O-N 3.02Å; P149-L152 PolarHBondContact O-N 3Å; P149-Q153 PolarHBondContact O-N 3.18Å
150T97Very high96Very high118 Ų11875.8 Ų75.872%0.72437%0.369SS*.G310 helixtrans-52.3-32.2-173.3-53.20000114.2L152 Q153T150-L152 PolarHBondContact O-N 2.95Å; T150-Q153 PolarHBondContact O-N 3.05Å
151I96.6Very high95.4Very high138 Ų13876.1 Ų76.171%0.70837%0.372SS*.G310 helixtrans-68.8-18.2178.3-164.5166.7000114.3P149 W156P149-I151 HydrophobicContact CB-CG2 4.42Å; P149-I151 PolarHBondContact O-N 3.02Å; I151-W156 VanDerWaalsContact O-CD1 3.26Å
152L96.9Very high94.9Very high39 Ų3978.1 Ų78.120%0.20439%0.385CS..G310 helixtrans-108.66178.1-59.8-179.9000112.5P148 P149 T150 W156 Y172P148-L152 HydrophobicContact CB-CB 4.19Å; P149-L152 PolarHBondContact O-N 3Å; T150-L152 PolarHBondContact O-N 2.95Å; L152-W156 HydrophobicContact CD2-CD2 3.73Å; L152-W156 HydrophobicContact CD2-CE3 4.06Å; L152-W156 HydrophobicContact CD2-CG 4.24Å; L152-W156 HydrophobicContact CD2-CH2 4.24Å; L152-W156 HydrophobicContact CD2-CZ2 3.96Å; L152-W156 HydrophobicContact CD2-CZ3 4.3Å; L152-Y172 HydrophobicContact CB-CD1 3.97Å; L152-Y172 HydrophobicContact CB-CD2 4.48Å; L152-Y172 HydrophobicContact CB-CE1 4.47Å; L152-Y172 HydrophobicContact CB-CG 4.02Å; L152-Y172 HydrophobicContact CD1-CD1 4.49Å; L152-Y172 HydrophobicContact CD1-CD2 4.16Å; L152-Y172 HydrophobicContact CD1-CE1 4.32Å; L152-Y172 HydrophobicContact CD1-CE2 3.92Å; L152-Y172 HydrophobicContact CD1-CG 4.45Å; L152-Y172 WeakPolarHBondContact O-CB 3.18Å
153Q95.9Very high94.1Very high32 Ų3285.4 Ų85.415%0.1542%0.424CS..SBendtrans-75.8168.3173.1-70.7176.912.700110.1R147 P148 P149 T150 W156 E173R147-Q153 VanDerWaalsContact CZ-CD 3.41Å; P148-Q153 HydrophobicContact CG-CG 3.95Å; P148-Q153 PolarHBondContact O-NE2 2.71Å; P149-Q153 PolarHBondContact O-N 3.18Å; T150-Q153 PolarHBondContact O-N 3.05Å; Q153-W156 WeakPolarHBondContact O-CB 3.46Å; Q153-W156 PolarHBondContact O-N 2.91Å; Q153-E173 VanDerWaalsContact CA-OE2 3.31Å; Q153-E173 WeakPolarHBondContact CA-OE2 3.32Å; Q153-E173 VanDerWaalsContact CB-OE2 3.23Å; Q153-E173 WeakPolarHBondContact CB-OE2 3.27Å
154E92.9Very high93.3Very high41 Ų4186.6 Ų86.619%0.19242%0.423CS..THydrogen-bonded Turntrans-47.3134.8174.1-69.9-60.1152.900111.4Y131 T171 E173Y131-E154 HydrophobicContact CD1-CG 4.31Å; E154-T171 VanDerWaalsContact OE1-CB 3.3Å; E154-T171 WeakPolarHBondContact OE1-CB 3.22Å; E154-T171 PolarHBondContact OE1-OG1 2.93Å; E154-T171 WeakPolarHBondContact OE2-CG2 3.4Å; E154-E173 HydrophobicContact CG-CB 4.14Å; E154-E173 PolarHBondContact N-OE2 2.91Å
155P93.3Very high92.1Very high40 Ų4088 Ų8826%0.2643%0.429SS..THydrogen-bonded Turncis-98.618.88.437.5-34.1000115.3Y158 E159 L161P155-Y158 CarbonylContact C-O 3.59Å; P155-Y158 WeakPolarHBondContact O-CA 3.29Å; P155-Y158 VanDerWaalsContact O-CB 3.29Å; P155-Y158 WeakPolarHBondContact O-CB 3.41Å; P155-Y158 WeakPolarHBondContact O-CD2 3.23Å; P155-Y158 PolarHBondContact O-N 2.8Å; P155-E159 VanDerWaalsContact CG-O 3.29Å; P155-E159 WeakPolarHBondContact CG-O 3.36Å; P155-L161 HydrophobicContact CB-CD1 4.37Å; P155-L161 HydrophobicContact CB-CD2 4.24Å; P155-L161 HydrophobicContact CB-CG 3.68Å
156W95.8Very high91.3Very high82 Ų8288.2 Ų88.231%0.31144%0.436SS..THydrogen-bonded Turntrans-56.2134.8-174.5-171.496.2000111.9I151 L152 Q153 T171 Y172 Y224I151-W156 VanDerWaalsContact O-CD1 3.26Å; L152-W156 HydrophobicContact CD2-CD2 3.73Å; L152-W156 HydrophobicContact CD2-CE3 4.06Å; L152-W156 HydrophobicContact CD2-CG 4.24Å; L152-W156 HydrophobicContact CD2-CH2 4.24Å; L152-W156 HydrophobicContact CD2-CZ2 3.96Å; L152-W156 HydrophobicContact CD2-CZ3 4.3Å; Q153-W156 WeakPolarHBondContact O-CB 3.46Å; Q153-W156 PolarHBondContact O-N 2.91Å; W156-T171 VanDerWaalsContact O-CA 3.23Å; W156-T171 WeakPolarHBondContact O-CA 3.44Å; W156-T171 WeakPolarHBondContact O-CB 3.13Å; W156-Y172 HydrophobicContact CE3-CD2 4.42Å; W156-Y172 HydrophobicContact CE3-CG 4.3Å; W156-Y172 AromaticContact CZ3-CD2 3.94Å; W156-Y172 HydrophobicContact CZ3-CD2 3.94Å; W156-Y172 HydrophobicContact CZ3-CG 4.25Å; W156-Y172 PolarHBondContact O-N 3.47Å; W156-Y224 AromaticContact CH2-CD1 3.76Å; W156-Y224 HydrophobicContact CH2-CD1 3.76Å; W156-Y224 AromaticContact CH2-CE1 3.58Å; W156-Y224 HydrophobicContact CH2-CE1 3.58Å; W156-Y224 AromaticContact CZ3-CD1 3.73Å; W156-Y224 HydrophobicContact CZ3-CD1 3.73Å; W156-Y224 HydrophobicContact CZ3-CD2 4.32Å; W156-Y224 AromaticContact CZ3-CE1 3.4Å; W156-Y224 HydrophobicContact CZ3-CE1 3.4Å; W156-Y224 HydrophobicContact CZ3-CE2 4.04Å; W156-Y224 HydrophobicContact CZ3-CG 4.18Å; W156-Y224 AromaticContact CZ3-CZ 3.57Å
157P95.5Very high90.7Very high57 Ų5780.3 Ų80.337%0.3740%0.401SS..THydrogen-bonded Turncis-85.61.816.836.9-39.7000115.2Y224P157-Y224 WeakPolarHBondContact CD-OH 3.24Å; P157-Y224 WeakPolarHBondContact CG-OH 3.27Å
158Y93.6Very high90.5Very high66 Ų6676.7 Ų76.726%0.25939%0.388SS..SBendtrans-81.9154.9177.9-49-73.7000111P155 K160 L161 P162 L170 T171P155-Y158 CarbonylContact C-O 3.59Å; P155-Y158 WeakPolarHBondContact O-CA 3.29Å; P155-Y158 VanDerWaalsContact O-CB 3.29Å; P155-Y158 WeakPolarHBondContact O-CB 3.41Å; P155-Y158 WeakPolarHBondContact O-CD2 3.23Å; P155-Y158 PolarHBondContact O-N 2.8Å; Y158-K160 VanDerWaalsContact CB-O 3.27Å; Y158-K160 WeakPolarHBondContact CB-O 3.41Å; Y158-L161 HydrophobicContact CD2-CD2 4.25Å; Y158-P162 HydrophobicContact CD1-CG 3.8Å; Y158-P162 HydrophobicContact CD2-CG 4.48Å; Y158-P162 HydrophobicContact CE1-CG 3.71Å; Y158-P162 HydrophobicContact CE2-CG 4.4Å; Y158-P162 HydrophobicContact CG-CG 4.19Å; Y158-L170 HydrophobicContact CE2-CB 4.33Å; Y158-L170 WeakPolarHBondContact OH-CB 3.29Å; Y158-L170 VanDerWaalsContact OH-CD1 3.31Å; Y158-L170 WeakPolarHBondContact OH-CD1 3.43Å; Y158-T171 HydrophobicContact CD2-CG2 4.29Å; Y158-T171 HydrophobicContact CE2-CG2 4.32Å
159E91Very high90.2Very high198 Ų19877.7 Ų77.793%0.92539%0.39SS*.SBendtrans-76-34.9165-65.2-177.4175.300111.1P155P155-E159 VanDerWaalsContact CG-O 3.29Å; P155-E159 WeakPolarHBondContact CG-O 3.36Å
160K89.7Confident90.1Very high151 Ų15177 Ų7766%0.65738%0.381SS*.SBendtrans-143139.8172.8-178.7-169.6169.9-159.70107.6Y158 P162Y158-K160 VanDerWaalsContact CB-O 3.27Å; Y158-K160 WeakPolarHBondContact CB-O 3.41Å; K160-P162 WeakPolarHBondContact O-CD 3.41Å
161L87Confident90Very high38 Ų3871.3 Ų71.320%0.19935%0.347CS..  trans-55.3128.4175.2-75.6160.9000110.9P155 Y158 Y168 T171P155-L161 HydrophobicContact CB-CD1 4.37Å; P155-L161 HydrophobicContact CB-CD2 4.24Å; P155-L161 HydrophobicContact CB-CG 3.68Å; Y158-L161 HydrophobicContact CD2-CD2 4.25Å; L161-Y168 HydrophobicContact CD1-CD1 3.74Å; L161-Y168 HydrophobicContact CD1-CE1 3.57Å; L161-Y168 HydrophobicContact CD2-CD1 3.93Å; L161-Y168 HydrophobicContact CD2-CE1 4.41Å; L161-Y168 HydrophobicContact CG-CD1 4.42Å; L161-Y168 HydrophobicContact CG-CE1 4.45Å; L161-T171 HydrophobicContact CD2-CG2 3.65Å
162P86.2Confident90.1Very high42 Ų4266.3 Ų66.327%0.27332%0.319SS..  trans-56.3150169.1-27.134.8000112.5Y158 K160 W164 A167Y158-P162 HydrophobicContact CD1-CG 3.8Å; Y158-P162 HydrophobicContact CD2-CG 4.48Å; Y158-P162 HydrophobicContact CE1-CG 3.71Å; Y158-P162 HydrophobicContact CE2-CG 4.4Å; Y158-P162 HydrophobicContact CG-CG 4.19Å; K160-P162 WeakPolarHBondContact O-CD 3.41Å; P162-W164 PolarHBondContact O-N 3.26Å; P162-A167 HydrophobicContact CB-CB 4.09Å; P162-A167 HydrophobicContact CG-CB 4.12Å
163D81.7Confident90.1Very high155 Ų15564.7 Ų64.783%0.82931%0.31SS*.SBendtrans-79.153.3178.4-58.9-34.5000111.4
164W81.2Confident90.1Very high106 Ų10663.2 Ų63.240%0.40230%0.304SS..SBendtrans-144.2135.2169.872-85.5000110.7P162 G166 A167 L170P162-W164 PolarHBondContact O-N 3.26Å; W164-G166 VanDerWaalsContact C-N 3.29Å; W164-G166 VanDerWaalsContact CH2-O 3.22Å; W164-G166 WeakPolarHBondContact CH2-O 3.26Å; W164-G166 PolarHBondContact O-N 3.35Å; W164-G166 VanDerWaalsContact O-N 3.15Å; W164-A167 HydrophobicContact CD2-CB 4.07Å; W164-A167 HydrophobicContact CG-CB 4.32Å; W164-A167 HydrophobicContact CZ2-CB 3.89Å; W164-A167 VanDerWaalsContact O-CB 3.25Å; W164-A167 WeakPolarHBondContact O-CB 3.41Å; W164-A167 PolarHBondContact O-N 3.11Å; W164-L170 HydrophobicContact CH2-CD1 4.09Å; W164-L170 HydrophobicContact CZ2-CD1 3.81Å
165E72.7Confident90.4Very high143 Ų14361.4 Ų61.467%0.66830%0.296SS*.G310 helixtrans-64.6-22-166-68.1-170.3165.700115.4A167 Y168E165-A167 VanDerWaalsContact C-N 3.31Å; E165-A167 PolarHBondContact O-N 2.97Å; E165-Y168 WeakPolarHBondContact O-CD2 3.45Å; E165-Y168 VanDerWaalsContact O-CE2 3.3Å; E165-Y168 WeakPolarHBondContact O-CE2 3.25Å
166G81.3Confident90.6Very high18 Ų1861.4 Ų61.419%0.18629%0.292CS..G310 helixtrans-85-2176.200000114W164 Y168 Y169W164-G166 VanDerWaalsContact C-N 3.29Å; W164-G166 VanDerWaalsContact CH2-O 3.22Å; W164-G166 WeakPolarHBondContact CH2-O 3.26Å; W164-G166 PolarHBondContact O-N 3.35Å; W164-G166 VanDerWaalsContact O-N 3.15Å; G166-Y168 PolarHBondContact O-N 2.71Å; G166-Y169 PolarHBondContact O-N 3.33Å; G166-Y169 VanDerWaalsContact O-N 3.09Å
167A86.2Confident90.7Very high0 Ų057.5 Ų57.50%028%0.278CS..G310 helixtrans-59.1-33.2-178.600000112.4P162 W164 E165 Y169 L170P162-A167 HydrophobicContact CB-CB 4.09Å; P162-A167 HydrophobicContact CG-CB 4.12Å; W164-A167 HydrophobicContact CD2-CB 4.07Å; W164-A167 HydrophobicContact CG-CB 4.32Å; W164-A167 HydrophobicContact CZ2-CB 3.89Å; W164-A167 VanDerWaalsContact O-CB 3.25Å; W164-A167 WeakPolarHBondContact O-CB 3.41Å; W164-A167 PolarHBondContact O-N 3.11Å; E165-A167 VanDerWaalsContact C-N 3.31Å; E165-A167 PolarHBondContact O-N 2.97Å; A167-Y169 VanDerWaalsContact C-N 3.25Å; A167-Y169 PolarHBondContact O-N 3.31Å; A167-L170 PolarHBondContact O-N 3.11Å
168Y90.9Very high90.9Very high47 Ų4754.8 Ų54.818%0.18426%0.26CS..G310 helixtrans-59.6-35.3178.5-45.6-77.3000111.9Y131 G132 T133 L161 E165 G166 L170 T171 C174Y131-Y168 WeakPolarHBondContact O-CD1 3.26Å; Y131-Y168 WeakPolarHBondContact O-CE1 3.46Å; G132-Y168 WeakPolarHBondContact O-CE1 3.19Å; G132-Y168 PolarHBondContact O-OH 2.89Å; G132-Y168 VanDerWaalsContact O-OH 3.12Å; T133-Y168 HydrophobicContact CG2-CD1 4.13Å; T133-Y168 HydrophobicContact CG2-CD2 3.23Å; T133-Y168 HydrophobicContact CG2-CE1 4.08Å; T133-Y168 HydrophobicContact CG2-CE2 3.34Å; T133-Y168 HydrophobicContact CG2-CG 3.69Å; L161-Y168 HydrophobicContact CD1-CD1 3.74Å; L161-Y168 HydrophobicContact CD1-CE1 3.57Å; L161-Y168 HydrophobicContact CD2-CD1 3.93Å; L161-Y168 HydrophobicContact CD2-CE1 4.41Å; L161-Y168 HydrophobicContact CG-CD1 4.42Å; L161-Y168 HydrophobicContact CG-CE1 4.45Å; E165-Y168 WeakPolarHBondContact O-CD2 3.45Å; E165-Y168 VanDerWaalsContact O-CE2 3.3Å; E165-Y168 WeakPolarHBondContact O-CE2 3.25Å; G166-Y168 PolarHBondContact O-N 2.71Å; Y168-L170 PolarHBondContact O-N 2.9Å; Y168-L170 VanDerWaalsContact O-N 3.12Å; Y168-T171 PolarHBondContact O-N 3.14Å; Y168-T171 VanDerWaalsContact O-N 3.13Å; Y168-T171 PolarHBondContact O-OG1 3.14Å; Y168-C174 WeakPolarHBondContact O-CB 3.31Å
169Y92.4Very high91.1Very high35 Ų3551.9 Ų51.914%0.13725%0.248CC..G310 helixtrans-64.8-18.7178.5-70-55.3000113.9Q124 D125 G126 G166 A167 E217 P219Q124-Y169 PolarHBondContact NE2-OH 3.38Å; Q124-Y169 VanDerWaalsContact NE2-OH 3.16Å; D125-Y169 WeakPolarHBondContact CA-OH 3.5Å; G126-Y169 VanDerWaalsContact N-CZ 3.28Å; G126-Y169 PolarHBondContact N-OH 3.46Å; G126-Y169 VanDerWaalsContact N-OH 3.11Å; G166-Y169 PolarHBondContact O-N 3.33Å; G166-Y169 VanDerWaalsContact O-N 3.09Å; A167-Y169 VanDerWaalsContact C-N 3.25Å; A167-Y169 PolarHBondContact O-N 3.31Å; Y169-E217 PolarHBondContact OH-O 2.87Å; Y169-P219 HydrophobicContact CD1-CB 3.7Å; Y169-P219 HydrophobicContact CD1-CG 4.29Å; Y169-P219 HydrophobicContact CE1-CB 3.83Å; Y169-P219 HydrophobicContact CE1-CG 4Å
170L93.8Very high91.5Very high70 Ų7042.9 Ų42.937%0.36621%0.206SC..G310 helixtrans-92.4-7.2179.5-59.3-177.8000113.1Y158 W164 A167 Y168 F223 Y224Y158-L170 HydrophobicContact CE2-CB 4.33Å; Y158-L170 WeakPolarHBondContact OH-CB 3.29Å; Y158-L170 VanDerWaalsContact OH-CD1 3.31Å; Y158-L170 WeakPolarHBondContact OH-CD1 3.43Å; W164-L170 HydrophobicContact CH2-CD1 4.09Å; W164-L170 HydrophobicContact CZ2-CD1 3.81Å; A167-L170 PolarHBondContact O-N 3.11Å; Y168-L170 PolarHBondContact O-N 2.9Å; Y168-L170 VanDerWaalsContact O-N 3.12Å; L170-F223 HydrophobicContact CD2-CZ 4.28Å; L170-Y224 PolarHBondContact O-OH 3.41Å
171T96.3Very high91.9Very high0 Ų035.7 Ų35.70%018%0.175CC..SBendtrans-76.2153.3179.373.20000110.4E154 W156 Y158 L161 Y168 C174 S175E154-T171 VanDerWaalsContact OE1-CB 3.3Å; E154-T171 WeakPolarHBondContact OE1-CB 3.22Å; E154-T171 PolarHBondContact OE1-OG1 2.93Å; E154-T171 WeakPolarHBondContact OE2-CG2 3.4Å; W156-T171 VanDerWaalsContact O-CA 3.23Å; W156-T171 WeakPolarHBondContact O-CA 3.44Å; W156-T171 WeakPolarHBondContact O-CB 3.13Å; Y158-T171 HydrophobicContact CD2-CG2 4.29Å; Y158-T171 HydrophobicContact CE2-CG2 4.32Å; L161-T171 HydrophobicContact CD2-CG2 3.65Å; Y168-T171 PolarHBondContact O-N 3.14Å; Y168-T171 VanDerWaalsContact O-N 3.13Å; Y168-T171 PolarHBondContact O-OG1 3.14Å; T171-C174 WeakPolarHBondContact OG1-CB 3.08Å; T171-C174 PolarHBondContact OG1-N 3.38Å; T171-S175 VanDerWaalsContact O-CB 3.28Å; T171-S175 WeakPolarHBondContact O-CB 3.4Å; T171-S175 PolarHBondContact O-N 3.23Å; T171-S175 VanDerWaalsContact O-N 3.16Å; T171-S175 PolarHBondContact O-OG 3.12Å
172Y97.4Very high92.5Very high33 Ų3334.2 Ų34.213%0.12917%0.167CC..Hα-helixtrans-65.9-44.7176.2-174.6-70.8000111P148 L152 W156 C174 S175 E176 Y224 T225P148-Y172 HydrophobicContact CB-CD1 3.9Å; P148-Y172 HydrophobicContact CB-CE1 3.62Å; P148-Y172 HydrophobicContact CG-CD1 4.01Å; P148-Y172 HydrophobicContact CG-CE1 4.18Å; L152-Y172 HydrophobicContact CB-CD1 3.97Å; L152-Y172 HydrophobicContact CB-CD2 4.48Å; L152-Y172 HydrophobicContact CB-CE1 4.47Å; L152-Y172 HydrophobicContact CB-CG 4.02Å; L152-Y172 HydrophobicContact CD1-CD1 4.49Å; L152-Y172 HydrophobicContact CD1-CD2 4.16Å; L152-Y172 HydrophobicContact CD1-CE1 4.32Å; L152-Y172 HydrophobicContact CD1-CE2 3.92Å; L152-Y172 HydrophobicContact CD1-CG 4.45Å; L152-Y172 WeakPolarHBondContact O-CB 3.18Å; W156-Y172 HydrophobicContact CE3-CD2 4.42Å; W156-Y172 HydrophobicContact CE3-CG 4.3Å; W156-Y172 AromaticContact CZ3-CD2 3.94Å; W156-Y172 HydrophobicContact CZ3-CD2 3.94Å; W156-Y172 HydrophobicContact CZ3-CG 4.25Å; W156-Y172 PolarHBondContact O-N 3.47Å; Y172-C174 PolarHBondContact O-N 2.84Å; Y172-S175 PolarHBondContact O-N 2.99Å; Y172-S175 PolarHBondContact O-OG 2.93Å; Y172-E176 HydrophobicContact CD1-CB 4.15Å; Y172-E176 HydrophobicContact CE1-CB 3.93Å; Y172-E176 HydrophobicContact CE1-CG 4.18Å; Y172-E176 WeakPolarHBondContact O-CB 3.3Å; Y172-E176 PolarHBondContact O-N 3.42Å; Y172-Y224 AromaticContact CD2-CD2 3.75Å; Y172-Y224 HydrophobicContact CD2-CD2 3.75Å; Y172-Y224 AromaticContact CD2-CG 3.76Å; Y172-Y224 HydrophobicContact CD2-CG 3.76Å; Y172-Y224 HydrophobicContact CE2-CG 4.32Å; Y172-Y224 HydrophobicContact CG-CD2 4.28Å; Y172-T225 HydrophobicContact CE2-CG2 4.42Å; Y172-T225 WeakPolarHBondContact OH-CG2 3.48Å
173E97.2Very high93Very high5 Ų537.2 Ų37.22%0.02318%0.177CC..Hα-helixtrans-64.9-43.4-174.4-147.8-179.1172.900112.2Y131 R147 P148 Q153 E154 E176 G177Y131-E173 HydrophobicContact CD1-CB 4.14Å; Y131-E173 HydrophobicContact CD1-CG 4.29Å; Y131-E173 HydrophobicContact CE1-CB 4.1Å; Y131-E173 HydrophobicContact CE1-CG 3.86Å; Y131-E173 WeakPolarHBondContact CE1-O 3.15Å; R147-E173 IonicContact CZ-OE1 3.27Å; R147-E173 VanDerWaalsContact CZ-OE1 3.29Å; R147-E173 IonicContact NE-OE1 2.71Å; R147-E173 PolarHBondContact NE-OE1 3.42Å; R147-E173 IonicContact NH2-OE1 3.31Å; R147-E173 PolarHBondContact NH2-OE1 3.12Å; R147-E173 IonicContact NH2-OE2 3.41Å; R147-E173 PolarHBondContact NH2-OE2 3.46Å; P148-E173 HydrophobicContact CG-CB 4.39Å; P148-E173 HydrophobicContact CG-CG 3.78Å; Q153-E173 VanDerWaalsContact CA-OE2 3.31Å; Q153-E173 WeakPolarHBondContact CA-OE2 3.32Å; Q153-E173 VanDerWaalsContact CB-OE2 3.23Å; Q153-E173 WeakPolarHBondContact CB-OE2 3.27Å; E154-E173 HydrophobicContact CG-CB 4.14Å; E154-E173 PolarHBondContact N-OE2 2.91Å; E173-E176 PolarHBondContact O-N 3.24Å; E173-G177 PolarHBondContact O-N 3.28Å
174C97Very high93.8Very high1 Ų132.5 Ų32.51%0.00715%0.152CC..Hα-helixtrans-66.3-46.2176.1-174.80000111.9L127 Y131 Y168 T171 Y172 E176 G177 A178L127-C174 WeakPolarHBondContact CD1-O 3.5Å; Y131-C174 HydrophobicContact CD1-CB 4.04Å; Y131-C174 HydrophobicContact CD2-CB 4.33Å; Y131-C174 HydrophobicContact CG-CB 3.85Å; Y168-C174 WeakPolarHBondContact O-CB 3.31Å; T171-C174 WeakPolarHBondContact OG1-CB 3.08Å; T171-C174 PolarHBondContact OG1-N 3.38Å; Y172-C174 PolarHBondContact O-N 2.84Å; C174-E176 VanDerWaalsContact C-N 3.28Å; C174-E176 PolarHBondContact O-N 2.96Å; C174-G177 WeakPolarHBondContact O-CA 3.35Å; C174-G177 PolarHBondContact O-N 3.08Å; C174-G177 VanDerWaalsContact O-N 3.08Å; C174-A178 PolarHBondContact O-N 2.62Å
175S97.9Very high94.7Very high3 Ų329.4 Ų29.42%0.02115%0.145CC..Hα-helixtrans-63.7-33.9178.471.20000112.6T171 Y172 Q179 G221 N222T171-S175 VanDerWaalsContact O-CB 3.28Å; T171-S175 WeakPolarHBondContact O-CB 3.4Å; T171-S175 PolarHBondContact O-N 3.23Å; T171-S175 VanDerWaalsContact O-N 3.16Å; T171-S175 PolarHBondContact O-OG 3.12Å; Y172-S175 PolarHBondContact O-N 2.99Å; Y172-S175 PolarHBondContact O-OG 2.93Å; S175-Q179 PolarHBondContact O-N 2.92Å; S175-G221 CarbonylContact O-C 3.52Å; S175-N222 WeakPolarHBondContact O-CA 3.47Å; S175-N222 WeakPolarHBondContact O-CB 3.42Å; S175-N222 PolarHBondContact O-N 3.19Å; S175-N222 VanDerWaalsContact O-N 3.08Å
176E98.2Very high95.8Very high39 Ų3925.7 Ų25.718%0.18214%0.135CC..Hα-helixtrans-69.5-39.4170.9-179.263.6-177.600112.1Y172 E173 C174 Q179 Q180 N222Y172-E176 HydrophobicContact CD1-CB 4.15Å; Y172-E176 HydrophobicContact CE1-CB 3.93Å; Y172-E176 HydrophobicContact CE1-CG 4.18Å; Y172-E176 WeakPolarHBondContact O-CB 3.3Å; Y172-E176 PolarHBondContact O-N 3.42Å; E173-E176 PolarHBondContact O-N 3.24Å; C174-E176 VanDerWaalsContact C-N 3.28Å; C174-E176 PolarHBondContact O-N 2.96Å; E176-Q179 PolarHBondContact O-N 3.29Å; E176-Q180 WeakPolarHBondContact O-CG 3.41Å; E176-Q180 PolarHBondContact O-N 3.09Å; E176-N222 PolarHBondContact OE2-ND2 3.13Å
177G98.3Very high96.6Very high1 Ų125.8 Ų25.81%0.0114%0.136CC..Hα-helixtrans-58.4-45.7171.800000112.4Y131 F145 E173 C174 Q180 L181Y131-G177 WeakPolarHBondContact OH-CA 3.26Å; F145-G177 VanDerWaalsContact CE2-O 3.31Å; F145-G177 WeakPolarHBondContact CE2-O 3.35Å; E173-G177 PolarHBondContact O-N 3.28Å; C174-G177 WeakPolarHBondContact O-CA 3.35Å; C174-G177 PolarHBondContact O-N 3.08Å; C174-G177 VanDerWaalsContact O-N 3.08Å; G177-Q180 PolarHBondContact O-N 2.9Å; G177-L181 PolarHBondContact O-N 3.02Å
178A98.4Very high97.2Very high0 Ų025.8 Ų25.80%014%0.136CC..Hα-helixtrans-60.2-45173.600000111.4L127 C174 Q180 L181 Y182 P219L127-A178 HydrophobicContact CD1-CB 4.01Å; C174-A178 PolarHBondContact O-N 2.62Å; A178-Q180 PolarHBondContact O-N 3.31Å; A178-L181 WeakPolarHBondContact O-CB 3.44Å; A178-L181 PolarHBondContact O-N 3.48Å; A178-Y182 HydrophobicContact CB-CE2 4.09Å; A178-Y182 WeakPolarHBondContact O-CD2 3.31Å; A178-Y182 VanDerWaalsContact O-CG 3.28Å; A178-Y182 PolarHBondContact O-N 3.43Å; A178-P219 HydrophobicContact CB-CB 4.05Å; A178-P219 HydrophobicContact CB-CG 3.51Å
179Q98.7Very high97.6Very high4 Ų425.7 Ų25.72%0.01914%0.135CC..Hα-helixtrans-62.2-43.3179.2-167.656.936.800112.2S175 E176 L181 Y182 E183 N222 R229 N239S175-Q179 PolarHBondContact O-N 2.92Å; E176-Q179 PolarHBondContact O-N 3.29Å; Q179-L181 VanDerWaalsContact C-N 3.33Å; Q179-L181 PolarHBondContact O-N 3Å; Q179-Y182 CarbonylContact O-C 3.47Å; Q179-Y182 PolarHBondContact O-N 3.05Å; Q179-E183 HydrophobicContact CG-CG 4.38Å; Q179-E183 WeakPolarHBondContact CG-OE1 3.13Å; Q179-E183 PolarHBondContact NE2-OE1 3.36Å; Q179-E183 WeakPolarHBondContact O-CB 3.48Å; Q179-E183 WeakPolarHBondContact O-CG 3.04Å; Q179-E183 PolarHBondContact O-N 2.7Å; Q179-N222 HydrophobicContact CB-CB 3.79Å; Q179-N222 HydrophobicContact CG-CB 4.24Å; Q179-R229 VanDerWaalsContact CD-NE 3.32Å; Q179-R229 VanDerWaalsContact NE2-NH2 3.1Å; Q179-R229 VanDerWaalsContact OE1-NE 3.1Å; Q179-N239 PolarHBondContact NE2-OD1 3.45Å; Q179-N239 VanDerWaalsContact NE2-OD1 3.13Å; Q179-N239 PolarHBondContact OE1-ND2 3Å
180Q98.7Very high97.9Very high9 Ų927.8 Ų27.84%0.04215%0.149CC..Hα-helixtrans-65.4-35.5177.9-72.8-173.380.100112.5F145 K146 E176 G177 A178 E183 N184 V185F145-Q180 HydrophobicContact CB-CB 4.46Å; F145-Q180 HydrophobicContact CD1-CB 4.24Å; F145-Q180 HydrophobicContact CD2-CB 3.88Å; F145-Q180 HydrophobicContact CE1-CB 4.48Å; F145-Q180 HydrophobicContact CE2-CB 4.12Å; F145-Q180 HydrophobicContact CG-CB 3.95Å; F145-Q180 HydrophobicContact CZ-CB 4.42Å; K146-Q180 PolarHBondContact O-NE2 3.19Å; E176-Q180 WeakPolarHBondContact O-CG 3.41Å; E176-Q180 PolarHBondContact O-N 3.09Å; G177-Q180 PolarHBondContact O-N 2.9Å; A178-Q180 PolarHBondContact O-N 3.31Å; Q180-E183 PolarHBondContact O-N 2.04Å; Q180-N184 PolarHBondContact O-N 2.67Å; Q180-V185 HydrophobicContact CB-CB 3.9Å; Q180-V185 HydrophobicContact CB-CG1 4.47Å; Q180-V185 HydrophobicContact CB-CG2 3.85Å; Q180-V185 HydrophobicContact CG-CB 4.31Å; Q180-V185 HydrophobicContact CG-CG2 3.9Å; Q180-V185 WeakPolarHBondContact O-CB 3.38Å; Q180-V185 PolarHBondContact O-N 3.1Å
181L98.7Very high98.1Very high1 Ų125.9 Ų25.91%0.00514%0.138CC..Hα-helixtrans-59.3-47170.3178.563.2000111L127 I137 F145 G177 A178 Q179 N184 A188 W189 W192L127-L181 HydrophobicContact CD2-CD2 4.37Å; I137-L181 HydrophobicContact CD1-CD2 4.25Å; I137-L181 HydrophobicContact CG1-CD2 4.42Å; F145-L181 HydrophobicContact CE2-CB 4.17Å; F145-L181 HydrophobicContact CZ-CB 4.11Å; F145-L181 HydrophobicContact CZ-CD1 4.48Å; G177-L181 PolarHBondContact O-N 3.02Å; A178-L181 WeakPolarHBondContact O-CB 3.44Å; A178-L181 PolarHBondContact O-N 3.48Å; Q179-L181 VanDerWaalsContact C-N 3.33Å; Q179-L181 PolarHBondContact O-N 3Å; L181-N184 PolarHBondContact O-N 3.5Å; L181-A188 HydrophobicContact CD1-CB 3.95Å; L181-W189 VanDerWaalsContact O-CD1 3.25Å; L181-W189 PolarHBondContact O-NE1 3.09Å; L181-W189 VanDerWaalsContact O-NE1 3.16Å; L181-W192 HydrophobicContact CD1-CE3 3.87Å; L181-W192 HydrophobicContact CD1-CZ3 4.21Å; L181-W192 HydrophobicContact CD2-CE3 4.44Å; L181-W192 HydrophobicContact CD2-CZ3 4.04Å; L181-W192 HydrophobicContact CG-CE3 4.16Å; L181-W192 HydrophobicContact CG-CZ3 3.97Å
182Y98.7Very high98.2Very high6 Ų625.9 Ų25.92%0.02414%0.138CC..Hα-helixtrans-71.9-27.5179.2-56.4-38.5000113.7A178 Q179 N184 W189 W192 P219 N239 L240 V243A178-Y182 HydrophobicContact CB-CE2 4.09Å; A178-Y182 WeakPolarHBondContact O-CD2 3.31Å; A178-Y182 VanDerWaalsContact O-CG 3.28Å; A178-Y182 PolarHBondContact O-N 3.43Å; Q179-Y182 CarbonylContact O-C 3.47Å; Q179-Y182 PolarHBondContact O-N 3.05Å; Y182-N184 VanDerWaalsContact C-N 3.27Å; Y182-N184 PolarHBondContact O-N 3.18Å; Y182-W189 VanDerWaalsContact O-CE2 3.31Å; Y182-W189 WeakPolarHBondContact O-CZ2 3.32Å; Y182-W189 PolarHBondContact O-NE1 2.96Å; Y182-W192 HydrophobicContact CE1-CZ3 4.46Å; Y182-P219 WeakPolarHBondContact CE2-O 3.24Å; Y182-P219 VanDerWaalsContact OH-CD 3.29Å; Y182-P219 WeakPolarHBondContact OH-CD 3.38Å; Y182-P219 PolarHBondContact OH-O 3.49Å; Y182-N239 HydrophobicContact CD2-CB 3.54Å; Y182-N239 HydrophobicContact CE2-CB 4.18Å; Y182-N239 HydrophobicContact CG-CB 3.79Å; Y182-L240 HydrophobicContact CD1-CD2 4.29Å; Y182-L240 HydrophobicContact CE1-CD2 3.57Å; Y182-L240 HydrophobicContact CE2-CD2 4.23Å; Y182-V243 HydrophobicContact CD1-CG1 4.22Å
183E98.5Very high98.3Very high105 Ų10524.3 Ų24.349%0.49113%0.132SC..THydrogen-bonded Turntrans-86.87.2177.8-72.5176.3-17900113.6Q179 Q180 V185 R229Q179-E183 HydrophobicContact CG-CG 4.38Å; Q179-E183 WeakPolarHBondContact CG-OE1 3.13Å; Q179-E183 PolarHBondContact NE2-OE1 3.36Å; Q179-E183 WeakPolarHBondContact O-CB 3.48Å; Q179-E183 WeakPolarHBondContact O-CG 3.04Å; Q179-E183 PolarHBondContact O-N 2.7Å; Q180-E183 PolarHBondContact O-N 2.04Å; E183-V185 HydrophobicContact CB-CG2 4.21Å; E183-V185 PolarHBondContact O-N 3.42Å; E183-R229 IonicContact OE1-NH2 3.9Å; E183-R229 PolarHBondContact OE1-NH2 3.32Å
184N98.4Very high98.3Very high56 Ų5626.4 Ų26.430%0.29914%0.143SC..THydrogen-bonded Turntrans58.631-179-168.826.9000113.1Q180 L181 Y182 S186 G187 A188 W189Q180-N184 PolarHBondContact O-N 2.67Å; L181-N184 PolarHBondContact O-N 3.5Å; Y182-N184 VanDerWaalsContact C-N 3.27Å; Y182-N184 PolarHBondContact O-N 3.18Å; N184-S186 PolarHBondContact O-N 3.04Å; N184-G187 PolarHBondContact O-N 2.92Å; N184-G187 VanDerWaalsContact O-N 3.14Å; N184-G187 VanDerWaalsContact OD1-CA 3.32Å; N184-G187 WeakPolarHBondContact OD1-CA 3.16Å; N184-A188 PolarHBondContact OD1-N 3.38Å; N184-A188 VanDerWaalsContact OD1-N 3.16Å; N184-W189 HydrophobicContact CB-CB 4.21Å; N184-W189 HydrophobicContact CB-CD2 3.8Å; N184-W189 HydrophobicContact CB-CG 3.61Å; N184-W189 VanDerWaalsContact OD1-CB 3.25Å; N184-W189 WeakPolarHBondContact OD1-CB 3.24Å; N184-W189 PolarHBondContact OD1-N 3.38Å
185V98.3Very high98.4Very high41 Ų4126.3 Ų26.325%0.24814%0.143CC..G310 helixtrans-60136.5177.3175.20000109.3F145 Q180 E183 G187 A188F145-V185 HydrophobicContact CD1-CB 4.43Å; F145-V185 HydrophobicContact CD1-CG1 4.28Å; Q180-V185 HydrophobicContact CB-CB 3.9Å; Q180-V185 HydrophobicContact CB-CG1 4.47Å; Q180-V185 HydrophobicContact CB-CG2 3.85Å; Q180-V185 HydrophobicContact CG-CB 4.31Å; Q180-V185 HydrophobicContact CG-CG2 3.9Å; Q180-V185 WeakPolarHBondContact O-CB 3.38Å; Q180-V185 PolarHBondContact O-N 3.1Å; E183-V185 HydrophobicContact CB-CG2 4.21Å; E183-V185 PolarHBondContact O-N 3.42Å; V185-G187 PolarHBondContact O-N 3.46Å; V185-A188 WeakPolarHBondContact O-CB 3.17Å; V185-A188 PolarHBondContact O-N 2.98Å; V185-A188 VanDerWaalsContact O-N 3.09Å
186S96.6Very high98.5Very high66 Ų6626.2 Ų26.246%0.46214%0.142SC..G310 helixtrans55.725.9-178.9-57.20000113.9Q144 N184Q144-S186 PolarHBondContact O-OG 2.93Å; N184-S186 PolarHBondContact O-N 3.04Å
187G97.9Very high98.5Very high19 Ų1925 Ų2520%0.19614%0.136CC..G310 helixtrans75.623.9179.500000114.3N184 V185 W189 N190 H191N184-G187 PolarHBondContact O-N 2.92Å; N184-G187 VanDerWaalsContact O-N 3.14Å; N184-G187 VanDerWaalsContact OD1-CA 3.32Å; N184-G187 WeakPolarHBondContact OD1-CA 3.16Å; V185-G187 PolarHBondContact O-N 3.46Å; G187-W189 PolarHBondContact O-N 2.96Å; G187-W189 VanDerWaalsContact O-N 3.15Å; G187-N190 WeakPolarHBondContact O-CB 3.31Å; G187-N190 PolarHBondContact O-N 3.21Å; G187-H191 PolarHBondContact O-CD2 2.87Å; G187-H191 PolarHBondContact O-N 3.08Å
188A98.7Very high98.5Very high0 Ų026.2 Ų26.20%014%0.142CC..Hα-helixtrans-51.5-37.5-177.800000114.1L141 F145 L181 N184 V185 H191 W192L141-A188 HydrophobicContact CD1-CB 4.22Å; L141-A188 HydrophobicContact CD2-CB 4.32Å; F145-A188 HydrophobicContact CE1-CB 4.02Å; F145-A188 HydrophobicContact CZ-CB 4.05Å; L181-A188 HydrophobicContact CD1-CB 3.95Å; N184-A188 PolarHBondContact OD1-N 3.38Å; N184-A188 VanDerWaalsContact OD1-N 3.16Å; V185-A188 WeakPolarHBondContact O-CB 3.17Å; V185-A188 PolarHBondContact O-N 2.98Å; V185-A188 VanDerWaalsContact O-N 3.09Å; A188-H191 PolarHBondContact O-N 3.41Å; A188-W192 WeakPolarHBondContact O-CB 3.07Å; A188-W192 PolarHBondContact O-N 2.87Å
189W98.7Very high98.6Very high45 Ų4526.2 Ų26.217%0.1714%0.142CC..Hα-helixtrans-66.3-39.3176.7-6812.2000111.9L181 Y182 N184 G187 H191 W192 G193 P242 V243 Y246L181-W189 VanDerWaalsContact O-CD1 3.25Å; L181-W189 PolarHBondContact O-NE1 3.09Å; L181-W189 VanDerWaalsContact O-NE1 3.16Å; Y182-W189 VanDerWaalsContact O-CE2 3.31Å; Y182-W189 WeakPolarHBondContact O-CZ2 3.32Å; Y182-W189 PolarHBondContact O-NE1 2.96Å; N184-W189 HydrophobicContact CB-CB 4.21Å; N184-W189 HydrophobicContact CB-CD2 3.8Å; N184-W189 HydrophobicContact CB-CG 3.61Å; N184-W189 VanDerWaalsContact OD1-CB 3.25Å; N184-W189 WeakPolarHBondContact OD1-CB 3.24Å; N184-W189 PolarHBondContact OD1-N 3.38Å; G187-W189 PolarHBondContact O-N 2.96Å; G187-W189 VanDerWaalsContact O-N 3.15Å; W189-H191 VanDerWaalsContact C-N 3.29Å; W189-H191 PolarHBondContact O-N 2.8Å; W189-W192 PolarHBondContact O-N 3.31Å; W189-G193 PolarHBondContact O-N 2.85Å; W189-P242 HydrophobicContact CH2-CB 3.83Å; W189-P242 HydrophobicContact CZ2-CB 4.35Å; W189-V243 HydrophobicContact CD2-CB 4.31Å; W189-V243 HydrophobicContact CD2-CG2 4.06Å; W189-V243 HydrophobicContact CG-CG2 4.01Å; W189-V243 HydrophobicContact CZ2-CB 3.8Å; W189-V243 HydrophobicContact CZ2-CG2 4.42Å; W189-Y246 HydrophobicContact CB-CD1 3.97Å; W189-Y246 HydrophobicContact CB-CE1 3.88Å; W189-Y246 HydrophobicContact CB-CG 4.5Å; W189-Y246 HydrophobicContact CE3-CD1 4.3Å; W189-Y246 AromaticContact CE3-CD2 3.94Å; W189-Y246 HydrophobicContact CE3-CD2 3.94Å; W189-Y246 AromaticContact CE3-CG 3.75Å; W189-Y246 HydrophobicContact CE3-CG 3.75Å; W189-Y246 HydrophobicContact CZ3-CG 4.39Å; W189-Y246 WeakPolarHBondContact O-CE1 3.31Å
190N98.7Very high98.6Very high80 Ų8026.1 Ų26.143%0.42814%0.142SC..Hα-helixtrans-61.3-44.1176.3-63.8-33.4000110G187 G193 D194 Y246G187-N190 WeakPolarHBondContact O-CB 3.31Å; G187-N190 PolarHBondContact O-N 3.21Å; N190-G193 PolarHBondContact O-N 3.25Å; N190-D194 PolarHBondContact O-N 3.49Å; N190-Y246 PolarHBondContact OD1-OH 2.91Å
191H98.6Very high98.6Very high30 Ų3030.7 Ų30.714%0.13916%0.161CC..Hα-helixtrans-67-38.3178.9-66.7-41.9000113.6W86 W140 L141 G187 A188 W189 D194 F195W86-H191 VanDerWaalsContact CZ2-C 3.41Å; W86-H191 HydrophobicContact CZ2-CB 3.91Å; W86-H191 WeakPolarHBondContact CZ2-O 3.3Å; W140-H191 HydrophobicContact CH2-CB 3.89Å; W140-H191 AromaticContact CH2-CG 3.78Å; W140-H191 HydrophobicContact CZ3-CB 4.44Å; W140-H191 AromaticContact CZ3-CD2 3.93Å; W140-H191 AromaticContact CZ3-CG 3.95Å; L141-H191 HydrophobicContact CD2-CB 4.47Å; G187-H191 PolarHBondContact O-CD2 2.87Å; G187-H191 PolarHBondContact O-N 3.08Å; A188-H191 PolarHBondContact O-N 3.41Å; W189-H191 VanDerWaalsContact C-N 3.29Å; W189-H191 PolarHBondContact O-N 2.8Å; H191-D194 IonicContact ND1-OD2 3.6Å; H191-D194 PolarHBondContact O-N 3.16Å; H191-F195 PolarHBondContact O-N 2.82Å; H191-F195 VanDerWaalsContact O-N 3.15Å
192W98.8Very high98.5Very high0 Ų033.4 Ų33.40%017%0.174CC..Hα-helixtrans-68.3-40.2174.4-165.1-4.9000111.1W86 M122 L181 Y182 A188 W189 F195 W196 L214 I215 V243 Y244 L247W86-W192 VanDerWaalsContact CH2-CA 3.4Å; W86-W192 HydrophobicContact CH2-CB 3.42Å; W86-W192 VanDerWaalsContact CH2-CB 3.42Å; W86-W192 AromaticContact CH2-CG 3.82Å; W86-W192 HydrophobicContact CH2-CG 3.82Å; W86-W192 HydrophobicContact CZ2-CB 4.08Å; W86-W192 HydrophobicContact CZ3-CB 3.87Å; W86-W192 AromaticContact CZ3-CD1 3.89Å; W86-W192 HydrophobicContact CZ3-CD2 4.14Å; W86-W192 AromaticContact CZ3-CG 3.71Å; W86-W192 HydrophobicContact CZ3-CG 3.71Å; M122-W192 HydrophobicContact CE-CZ2 3.76Å; M122-W192 PolarHBondContact SD-NE1 3.01Å; L181-W192 HydrophobicContact CD1-CE3 3.87Å; L181-W192 HydrophobicContact CD1-CZ3 4.21Å; L181-W192 HydrophobicContact CD2-CE3 4.44Å; L181-W192 HydrophobicContact CD2-CZ3 4.04Å; L181-W192 HydrophobicContact CG-CE3 4.16Å; L181-W192 HydrophobicContact CG-CZ3 3.97Å; Y182-W192 HydrophobicContact CE1-CZ3 4.46Å; A188-W192 WeakPolarHBondContact O-CB 3.07Å; A188-W192 PolarHBondContact O-N 2.87Å; W189-W192 PolarHBondContact O-N 3.31Å; W192-F195 WeakPolarHBondContact O-CB 3.43Å; W192-F195 PolarHBondContact O-N 2.83Å; W192-W196 AromaticContact CD1-CD1 3.5Å; W192-W196 VanDerWaalsContact CD1-CD1 3.5Å; W192-W196 AromaticContact CD1-NE1 3.65Å; W192-W196 AromaticContact NE1-CD1 3.54Å; W192-W196 AromaticContact NE1-NE1 3.2Å; W192-W196 PolarHBondContact O-N 3.09Å; W192-W196 VanDerWaalsContact O-N 3.16Å; W192-L214 WeakPolarHBondContact CZ2-O 3.49Å; W192-L214 PolarHBondContact NE1-O 3.17Å; W192-I215 HydrophobicContact CH2-CB 4.15Å; W192-I215 HydrophobicContact CH2-CD1 3.89Å; W192-I215 HydrophobicContact CH2-CG2 3.96Å; W192-I215 HydrophobicContact CZ2-CB 3.7Å; W192-I215 HydrophobicContact CZ2-CD1 4.1Å; W192-I215 HydrophobicContact CZ2-CG1 4.47Å; W192-I215 HydrophobicContact CZ2-CG2 3.85Å; W192-V243 HydrophobicContact CD2-CG2 4.5Å; W192-V243 HydrophobicContact CE3-CG2 3.66Å; W192-V243 HydrophobicContact CH2-CG1 4.35Å; W192-V243 HydrophobicContact CH2-CG2 4.37Å; W192-V243 HydrophobicContact CZ3-CB 4.5Å; W192-V243 HydrophobicContact CZ3-CG1 4.09Å; W192-V243 HydrophobicContact CZ3-CG2 3.61Å; W192-Y244 HydrophobicContact CH2-CE1 4.37Å; W192-L247 HydrophobicContact CB-CD2 3.85Å; W192-L247 HydrophobicContact CD2-CD1 3.66Å; W192-L247 HydrophobicContact CD2-CD2 4.05Å; W192-L247 HydrophobicContact CD2-CG 4.41Å; W192-L247 HydrophobicContact CE3-CD1 4.25Å; W192-L247 HydrophobicContact CG-CD1 4.03Å; W192-L247 HydrophobicContact CG-CD2 3.62Å; W192-L247 HydrophobicContact CG-CG 4.44Å; W192-L247 HydrophobicContact CH2-CD1 4.18Å; W192-L247 HydrophobicContact CZ2-CD1 3.55Å; W192-L247 HydrophobicContact CZ3-CD1 4.5Å
193G98.8Very high98.5Very high0 Ų033.1 Ų33.10%017%0.173CC..Hα-helixtrans-60.9-44.2171.900000112.4W189 N190 F195 W196 E197W189-G193 PolarHBondContact O-N 2.85Å; N190-G193 PolarHBondContact O-N 3.25Å; G193-F195 VanDerWaalsContact C-N 3.32Å; G193-F195 PolarHBondContact O-N 2.88Å; G193-W196 PolarHBondContact O-N 3.22Å; G193-E197 WeakPolarHBondContact O-CB 2.98Å; G193-E197 WeakPolarHBondContact O-CG 3.39Å; G193-E197 PolarHBondContact O-N 2.99Å
194D98.8Very high98.5Very high48 Ų4828.6 Ų28.626%0.25715%0.154SC..Hα-helixtrans-58.7-43.6176.4-68.7-16.2000111.6K90 N190 H191 E197 I198 R250K90-D194 HydrophobicContact CD-CB 4.43Å; K90-D194 IonicContact NZ-OD2 3.68Å; N190-D194 PolarHBondContact O-N 3.49Å; H191-D194 IonicContact ND1-OD2 3.6Å; H191-D194 PolarHBondContact O-N 3.16Å; D194-E197 PolarHBondContact O-N 3.47Å; D194-I198 VanDerWaalsContact O-CD1 3.31Å; D194-I198 WeakPolarHBondContact O-CD1 3.42Å; D194-I198 WeakPolarHBondContact O-CG1 3.26Å; D194-I198 PolarHBondContact O-N 3Å; D194-R250 IonicContact OD1-NH2 3.53Å
195F98.9Very high98.4Very high0 Ų036 Ų360%018%0.184CC..Hα-helixtrans-56.2-52.6175.6162.6-98.9000111.2I84 W86 V89 M122 H191 W192 G193 E197 I198 I199I84-F195 HydrophobicContact CG2-CZ 4.26Å; I84-F195 WeakPolarHBondContact O-CZ 3.48Å; W86-F195 VanDerWaalsContact CA-CE2 3.41Å; W86-F195 HydrophobicContact CB-CD2 3.94Å; W86-F195 HydrophobicContact CB-CE2 3.92Å; W86-F195 HydrophobicContact CB-CG 4.38Å; W86-F195 HydrophobicContact CB-CZ 4.33Å; W86-F195 AromaticContact CD1-CD2 3.63Å; W86-F195 AromaticContact CD1-CG 3.85Å; W86-F195 HydrophobicContact CD2-CB 4.32Å; W86-F195 HydrophobicContact CD2-CG 4.33Å; W86-F195 HydrophobicContact CG-CB 4.22Å; W86-F195 AromaticContact CG-CD2 3.82Å; W86-F195 HydrophobicContact CG-CD2 3.82Å; W86-F195 HydrophobicContact CG-CE2 4.3Å; W86-F195 AromaticContact CG-CG 3.95Å; W86-F195 HydrophobicContact CG-CG 3.95Å; V89-F195 HydrophobicContact CB-CD2 3.77Å; V89-F195 HydrophobicContact CB-CE2 3.86Å; V89-F195 HydrophobicContact CG1-CD2 3.98Å; V89-F195 HydrophobicContact CG1-CE2 4.41Å; V89-F195 HydrophobicContact CG2-CD2 4.03Å; V89-F195 HydrophobicContact CG2-CE2 3.62Å; M122-F195 HydrophobicContact CB-CE1 3.71Å; M122-F195 HydrophobicContact CB-CZ 3.96Å; M122-F195 HydrophobicContact CG-CD1 4.31Å; M122-F195 HydrophobicContact CG-CE1 3.46Å; M122-F195 VanDerWaalsContact CG-CE1 3.46Å; M122-F195 HydrophobicContact CG-CZ 3.65Å; M122-F195 HydrophobicContact SD-CD1 3.88Å; M122-F195 HydrophobicContact SD-CE1 3.6Å; M122-F195 VanDerWaalsContact SD-CE1 3.6Å; M122-F195 HydrophobicContact SD-CZ 4.29Å; H191-F195 PolarHBondContact O-N 2.82Å; H191-F195 VanDerWaalsContact O-N 3.15Å; W192-F195 WeakPolarHBondContact O-CB 3.43Å; W192-F195 PolarHBondContact O-N 2.83Å; G193-F195 VanDerWaalsContact C-N 3.32Å; G193-F195 PolarHBondContact O-N 2.88Å; F195-E197 PolarHBondContact O-N 2.77Å; F195-I198 PolarHBondContact O-N 3.48Å; F195-I199 HydrophobicContact CD1-CD1 4.15Å; F195-I199 HydrophobicContact CD2-CD1 4.04Å; F195-I199 HydrophobicContact CE1-CD1 3.54Å; F195-I199 HydrophobicContact CE2-CD1 3.42Å; F195-I199 VanDerWaalsContact CE2-CD1 3.42Å; F195-I199 HydrophobicContact CE2-CG1 4.4Å; F195-I199 HydrophobicContact CG-CD1 4.38Å; F195-I199 HydrophobicContact CZ-CD1 3.16Å; F195-I199 HydrophobicContact CZ-CG1 4.48Å; F195-I199 WeakPolarHBondContact O-CG1 3.26Å; F195-I199 PolarHBondContact O-N 3.34Å
196W98.9Very high98.3Very high0 Ų035.5 Ų35.50%018%0.178CC..Hα-helixtrans-68.7-31.9-179.8-82.5122.5000113.7M122 W192 G193 I199 A200 Y212 D213 L214 I251M122-W196 HydrophobicContact CB-CH2 4.05Å; M122-W196 HydrophobicContact CB-CZ2 3.49Å; M122-W196 VanDerWaalsContact CB-CZ2 3.49Å; W192-W196 AromaticContact CD1-CD1 3.5Å; W192-W196 VanDerWaalsContact CD1-CD1 3.5Å; W192-W196 AromaticContact CD1-NE1 3.65Å; W192-W196 AromaticContact NE1-CD1 3.54Å; W192-W196 AromaticContact NE1-NE1 3.2Å; W192-W196 PolarHBondContact O-N 3.09Å; W192-W196 VanDerWaalsContact O-N 3.16Å; G193-W196 PolarHBondContact O-N 3.22Å; W196-I199 HydrophobicContact CE3-CB 4.2Å; W196-I199 HydrophobicContact CE3-CD1 3.88Å; W196-I199 HydrophobicContact CE3-CG2 4.08Å; W196-I199 HydrophobicContact CZ3-CD1 3.83Å; W196-I199 HydrophobicContact CZ3-CG2 4.01Å; W196-I199 PolarHBondContact O-N 3.36Å; W196-A200 VanDerWaalsContact O-CB 3.26Å; W196-A200 WeakPolarHBondContact O-CB 3.48Å; W196-A200 PolarHBondContact O-N 2.78Å; W196-Y212 HydrophobicContact CE3-CD1 4.25Å; W196-Y212 HydrophobicContact CE3-CG 4.15Å; W196-Y212 VanDerWaalsContact CZ3-CB 3.49Å; W196-Y212 AromaticContact CZ3-CD1 3.78Å; W196-Y212 HydrophobicContact CZ3-CD1 3.78Å; W196-Y212 AromaticContact CZ3-CG 3.87Å; W196-Y212 HydrophobicContact CZ3-CG 3.87Å; W196-D213 VanDerWaalsContact CH2-O 3.27Å; W196-D213 WeakPolarHBondContact CH2-O 3.19Å; W196-D213 WeakPolarHBondContact CZ2-O 3.08Å; W196-L214 VanDerWaalsContact CZ2-CA 3.46Å; W196-L214 HydrophobicContact CZ2-CD2 4.49Å; W196-L214 WeakPolarHBondContact CZ2-O 3.05Å; W196-L214 PolarHBondContact NE1-O 3.44Å; W196-I251 HydrophobicContact CB-CD1 3.94Å; W196-I251 HydrophobicContact CB-CG1 3.64Å; W196-I251 HydrophobicContact CD2-CD1 4.12Å; W196-I251 HydrophobicContact CE3-CD1 4.4Å; W196-I251 HydrophobicContact CG-CD1 3.93Å; W196-I251 HydrophobicContact CG-CG1 4.2Å
197E98.9Very high98.4Very high14 Ų1433.9 Ų33.97%0.06517%0.167CC..Hα-helixtrans-64-43.2172.1-79.1-161.8162.500112.5G193 D194 F195 I199 A200 K201 R250 Q253 Y254G193-E197 WeakPolarHBondContact O-CB 2.98Å; G193-E197 WeakPolarHBondContact O-CG 3.39Å; G193-E197 PolarHBondContact O-N 2.99Å; D194-E197 PolarHBondContact O-N 3.47Å; F195-E197 PolarHBondContact O-N 2.77Å; E197-I199 VanDerWaalsContact C-N 3.3Å; E197-I199 PolarHBondContact O-N 3.14Å; E197-A200 PolarHBondContact O-N 3.5Å; E197-K201 VanDerWaalsContact O-CB 3.28Å; E197-K201 WeakPolarHBondContact O-CB 2.99Å; E197-K201 WeakPolarHBondContact O-CD 3.13Å; E197-K201 WeakPolarHBondContact O-CG 3.41Å; E197-K201 PolarHBondContact O-N 3.05Å; E197-K201 IonicContact OE2-NZ 2.9Å; E197-K201 PolarHBondContact OE2-NZ 3.44Å; E197-R250 VanDerWaalsContact CD-CZ 3.43Å; E197-R250 HydrophobicContact CG-CB 4.17Å; E197-R250 IonicContact OE1-CZ 3.74Å; E197-R250 IonicContact OE1-NE 3Å; E197-R250 IonicContact OE1-NH1 2.6Å; E197-R250 PolarHBondContact OE1-NH1 2.75Å; E197-R250 IonicContact OE1-NH2 3.52Å; E197-R250 PolarHBondContact OE1-NH2 2.98Å; E197-R250 IonicContact OE2-NH2 3.3Å; E197-R250 PolarHBondContact OE2-NH2 2.92Å; E197-Q253 PolarHBondContact OE1-OE1 2.8Å; E197-Y254 HydrophobicContact CB-CD2 4.32Å; E197-Y254 HydrophobicContact CB-CE2 4.19Å; E197-Y254 HydrophobicContact CG-CD2 4.03Å; E197-Y254 HydrophobicContact CG-CE2 3.69Å; E197-Y254 VanDerWaalsContact OE1-CE2 3.25Å; E197-Y254 WeakPolarHBondContact OE1-CE2 3.34Å
198I98.9Very high98.4Very high26 Ų2633.1 Ų33.113%0.13316%0.158CC..Hα-helixtrans-58.7-47.9178.2-71159000109.1V89 K90 V96 L101 D194 F195 K201 H202V89-I198 HydrophobicContact CG1-CB 4.26Å; V89-I198 HydrophobicContact CG1-CD1 4.26Å; V89-I198 HydrophobicContact CG1-CG2 3.76Å; K90-I198 HydrophobicContact CD-CD1 3.98Å; K90-I198 HydrophobicContact CG-CD1 4.03Å; V96-I198 HydrophobicContact CB-CD1 4.47Å; V96-I198 HydrophobicContact CG1-CD1 4.09Å; V96-I198 HydrophobicContact CG1-CG1 4.44Å; V96-I198 HydrophobicContact CG1-CG2 3.89Å; V96-I198 HydrophobicContact CG2-CD1 3.58Å; V96-I198 HydrophobicContact CG2-CG1 4.33Å; L101-I198 HydrophobicContact CD1-CG2 3.52Å; L101-I198 HydrophobicContact CD2-CG2 4.08Å; L101-I198 HydrophobicContact CG-CG2 4.44Å; D194-I198 VanDerWaalsContact O-CD1 3.31Å; D194-I198 WeakPolarHBondContact O-CD1 3.42Å; D194-I198 WeakPolarHBondContact O-CG1 3.26Å; D194-I198 PolarHBondContact O-N 3Å; F195-I198 PolarHBondContact O-N 3.48Å; I198-K201 PolarHBondContact O-N 3.01Å; I198-H202 WeakPolarHBondContact O-CB 3.47Å; I198-H202 PolarHBondContact O-N 2.77Å
199I98.9Very high98.4Very high0 Ų033.2 Ų33.20%016%0.159CC..Hα-helixtrans-61.1-50.3177-68175.3000111.2I84 L120 F195 W196 E197 K201 H202 Y203 Y212I84-I199 HydrophobicContact CD1-CD1 3.66Å; I84-I199 HydrophobicContact CD1-CG1 3.75Å; I84-I199 HydrophobicContact CG1-CD1 3.92Å; I84-I199 HydrophobicContact CG1-CG1 4.47Å; I84-I199 HydrophobicContact CG2-CD1 3.84Å; L120-I199 HydrophobicContact CD1-CG2 3.8Å; F195-I199 HydrophobicContact CD1-CD1 4.15Å; F195-I199 HydrophobicContact CD2-CD1 4.04Å; F195-I199 HydrophobicContact CE1-CD1 3.54Å; F195-I199 HydrophobicContact CE2-CD1 3.42Å; F195-I199 VanDerWaalsContact CE2-CD1 3.42Å; F195-I199 HydrophobicContact CE2-CG1 4.4Å; F195-I199 HydrophobicContact CG-CD1 4.38Å; F195-I199 HydrophobicContact CZ-CD1 3.16Å; F195-I199 HydrophobicContact CZ-CG1 4.48Å; F195-I199 WeakPolarHBondContact O-CG1 3.26Å; F195-I199 PolarHBondContact O-N 3.34Å; W196-I199 HydrophobicContact CE3-CB 4.2Å; W196-I199 HydrophobicContact CE3-CD1 3.88Å; W196-I199 HydrophobicContact CE3-CG2 4.08Å; W196-I199 HydrophobicContact CZ3-CD1 3.83Å; W196-I199 HydrophobicContact CZ3-CG2 4.01Å; W196-I199 PolarHBondContact O-N 3.36Å; E197-I199 VanDerWaalsContact C-N 3.3Å; E197-I199 PolarHBondContact O-N 3.14Å; I199-K201 VanDerWaalsContact C-N 3.32Å; I199-K201 PolarHBondContact O-N 3.35Å; I199-H202 PolarHBondContact O-N 2.9Å; I199-Y203 HydrophobicContact CB-CD2 4.3Å; I199-Y203 HydrophobicContact CG1-CE2 4.45Å; I199-Y203 HydrophobicContact CG2-CD2 3.73Å; I199-Y203 HydrophobicContact CG2-CE2 4.27Å; I199-Y203 WeakPolarHBondContact O-CD2 3.26Å; I199-Y203 PolarHBondContact O-N 2.94Å; I199-Y212 HydrophobicContact CG2-CD1 3.93Å; I199-Y212 HydrophobicContact CG2-CE1 3.72Å
200A98.8Very high98.4Very high2 Ų231.2 Ų31.22%0.01715%0.151CC..Hα-helixtrans-62.9-37.4-178.800000112.4W196 E197 G204 I251 D255W196-A200 VanDerWaalsContact O-CB 3.26Å; W196-A200 WeakPolarHBondContact O-CB 3.48Å; W196-A200 PolarHBondContact O-N 2.78Å; E197-A200 PolarHBondContact O-N 3.5Å; A200-G204 WeakPolarHBondContact O-CA 3.31Å; A200-G204 PolarHBondContact O-N 2.92Å; A200-I251 HydrophobicContact CB-CG2 4.14Å; A200-D255 HydrophobicContact CB-CB 4.14Å
201K98.5Very high98.4Very high105 Ų10527.4 Ų27.446%0.45713%0.131SC..Hα-helixtrans-63.6-43.6173.8-76.7164.6-178159.90111.9E197 I198 I199 Y254E197-K201 VanDerWaalsContact O-CB 3.28Å; E197-K201 WeakPolarHBondContact O-CB 2.99Å; E197-K201 WeakPolarHBondContact O-CD 3.13Å; E197-K201 WeakPolarHBondContact O-CG 3.41Å; E197-K201 PolarHBondContact O-N 3.05Å; E197-K201 IonicContact OE2-NZ 2.9Å; E197-K201 PolarHBondContact OE2-NZ 3.44Å; I198-K201 PolarHBondContact O-N 3.01Å; I199-K201 VanDerWaalsContact C-N 3.32Å; I199-K201 PolarHBondContact O-N 3.35Å; K201-Y254 HydrophobicContact CD-CD1 4.09Å; K201-Y254 HydrophobicContact CD-CE1 4.08Å; K201-Y254 HydrophobicContact CD-CG 4.32Å; K201-Y254 VanDerWaalsContact CE-CD1 3.42Å; K201-Y254 VanDerWaalsContact CE-CE2 3.43Å; K201-Y254 WeakPolarHBondContact CE-OH 3.36Å; K201-Y254 HydrophobicContact CG-CD1 3.42Å; K201-Y254 VanDerWaalsContact CG-CD1 3.42Å; K201-Y254 HydrophobicContact CG-CD2 4.1Å; K201-Y254 HydrophobicContact CG-CE1 3.94Å; K201-Y254 HydrophobicContact CG-CG 3.51Å; K201-Y254 PolarHBondContact NZ-OH 3.04Å
202H98.4Very high98.4Very high59 Ų5926 Ų2627%0.27312%0.124SC..Hα-helixtrans-78.2-43.6-173.5-153.298.6000111.9E105 I198 I199E105-H202 IonicContact OE1-NE2 3.96Å; E105-H202 IonicContact OE2-CD2 3.87Å; E105-H202 IonicContact OE2-CE1 2.97Å; E105-H202 IonicContact OE2-NE2 3.32Å; E105-H202 PolarHBondContact OE2-NE2 2.69Å; I198-H202 WeakPolarHBondContact O-CB 3.47Å; I198-H202 PolarHBondContact O-N 2.77Å; I199-H202 PolarHBondContact O-N 2.9Å
203Y98.5Very high98.4Very high0 Ų026 Ų260%012%0.124CC..Hα-helixtrans-111.7-11.4-169.4-48.8-60.8000115I84 L101 M104 E105 I108 L120 I199 K205 K206I84-Y203 HydrophobicContact CD1-CD2 4.49Å; I84-Y203 HydrophobicContact CD1-CE2 3.66Å; L101-Y203 WeakPolarHBondContact CA-OH 3.17Å; L101-Y203 HydrophobicContact CD2-CE2 4.13Å; L101-Y203 WeakPolarHBondContact CD2-OH 3.08Å; L101-Y203 PolarHBondContact O-OH 2.84Å; M104-Y203 WeakPolarHBondContact CB-OH 3.49Å; E105-Y203 HydrophobicContact CB-CE1 3.87Å; I108-Y203 HydrophobicContact CD1-CD1 3.63Å; I108-Y203 HydrophobicContact CD1-CD2 4.47Å; I108-Y203 HydrophobicContact CD1-CE1 3.79Å; I108-Y203 HydrophobicContact CD1-CG 4Å; L120-Y203 HydrophobicContact CD1-CD2 3.7Å; L120-Y203 HydrophobicContact CD1-CE2 4.38Å; L120-Y203 HydrophobicContact CD1-CG 4.18Å; I199-Y203 HydrophobicContact CB-CD2 4.3Å; I199-Y203 HydrophobicContact CG1-CE2 4.45Å; I199-Y203 HydrophobicContact CG2-CD2 3.73Å; I199-Y203 HydrophobicContact CG2-CE2 4.27Å; I199-Y203 WeakPolarHBondContact O-CD2 3.26Å; I199-Y203 PolarHBondContact O-N 2.94Å; Y203-K205 PolarHBondContact O-N 3.04Å; Y203-K206 HydrophobicContact CD1-CD 4.41Å; Y203-K206 WeakPolarHBondContact O-CB 3.29Å; Y203-K206 PolarHBondContact O-N 3.26Å
204G97.3Very high98.4Very high9 Ų926 Ų269%0.09312%0.124CC..THydrogen-bonded Turntrans-62.3-18.2-170.700000115.8A200 Y212 D255A200-G204 WeakPolarHBondContact O-CA 3.31Å; A200-G204 PolarHBondContact O-N 2.92Å; G204-Y212 VanDerWaalsContact CA-OH 3.31Å; G204-Y212 WeakPolarHBondContact CA-OH 3.2Å; G204-D255 VanDerWaalsContact CA-OD2 3.24Å; G204-D255 WeakPolarHBondContact CA-OD2 3.41Å
205K96.6Very high98.4Very high212 Ų21223.7 Ų23.792%0.92211%0.112SC*.THydrogen-bonded Turntrans-86-13.4173.9-66.4-176.9-178.1176.20114Y203 S207Y203-K205 PolarHBondContact O-N 3.04Å; K205-S207 PolarHBondContact O-N 2.93Å
206K97.4Very high98.4Very high31 Ų3123.7 Ų23.714%0.13511%0.112CC..  trans-75125.6177.6-62.3-171.5-173.2-74.80109.1K27 E105 I108 D109 Y203 V209K27-K206 PolarHBondContact NZ-O 3.38Å; E105-K206 WeakPolarHBondContact OE1-CE 3.32Å; E105-K206 IonicContact OE1-NZ 3.33Å; E105-K206 PolarHBondContact OE1-NZ 2.75Å; I108-K206 HydrophobicContact CB-CD 4.32Å; I108-K206 HydrophobicContact CG2-CD 3.62Å; D109-K206 WeakPolarHBondContact OD1-CE 3.3Å; D109-K206 IonicContact OD1-NZ 2.89Å; D109-K206 PolarHBondContact OD1-NZ 3.06Å; D109-K206 IonicContact OD2-NZ 3.51Å; D109-K206 PolarHBondContact OD2-NZ 3.23Å; Y203-K206 HydrophobicContact CD1-CD 4.41Å; Y203-K206 WeakPolarHBondContact O-CB 3.29Å; Y203-K206 PolarHBondContact O-N 3.26Å; K206-V209 HydrophobicContact CB-CB 4.5Å; K206-V209 HydrophobicContact CB-CG2 3.77Å; K206-V209 PolarHBondContact O-N 2.7Å
207S96.8Very high98.3Very high31 Ų3125 Ų2522%0.21712%0.119CC..THydrogen-bonded Turntrans-78.2-26-172.558.30000113.2L25 K205 V209L25-S207 WeakPolarHBondContact O-CB 3.45Å; L25-S207 PolarHBondContact O-OG 3.04Å; K205-S207 PolarHBondContact O-N 2.93Å; S207-V209 VanDerWaalsContact C-N 3.31Å
208N98Very high98.2Very high4 Ų424.4 Ų24.42%0.02112%0.115CC..THydrogen-bonded Turntrans-79.4-9.717475.6-50000113.6L25 I108 A112 I116 Y117 V118 L210L25-N208 HydrophobicContact CB-CB 4.19Å; L25-N208 HydrophobicContact CD1-CB 3.55Å; L25-N208 HydrophobicContact CG-CB 4.45Å; I108-N208 PolarHBondContact O-ND2 2.85Å; A112-N208 HydrophobicContact CB-CB 4Å; A112-N208 VanDerWaalsContact CB-CG 3.48Å; A112-N208 WeakPolarHBondContact CB-ND2 3.42Å; A112-N208 PolarHBondContact N-ND2 2.83Å; I116-N208 PolarHBondContact O-ND2 3.42Å; Y117-N208 CarbonylContact C-O 3.43Å; Y117-N208 VanDerWaalsContact CA-O 3.26Å; Y117-N208 WeakPolarHBondContact CA-O 3.22Å; Y117-N208 HydrophobicContact CD1-CB 4.4Å; Y117-N208 WeakPolarHBondContact CD1-O 3.49Å; V118-N208 PolarHBondContact N-O 3.26Å; N208-L210 PolarHBondContact O-N 3.23Å
209V98.7Very high98.1Very high1 Ų123.4 Ų23.41%0.00611%0.111CC..EExtended strand (participates in β ladder)trans-70.7101.4165.3177.30000107.6K27 I108 V118 L120 K206 S207 Y212K27-V209 PolarHBondContact NZ-O 3.31Å; I108-V209 HydrophobicContact CG2-CG2 3.86Å; V118-V209 HydrophobicContact CG2-CB 4.25Å; V118-V209 HydrophobicContact CG2-CG2 3.77Å; L120-V209 HydrophobicContact CD1-CG1 4.21Å; L120-V209 HydrophobicContact CG-CG1 4.38Å; K206-V209 HydrophobicContact CB-CB 4.5Å; K206-V209 HydrophobicContact CB-CG2 3.77Å; K206-V209 PolarHBondContact O-N 2.7Å; S207-V209 VanDerWaalsContact C-N 3.31Å; V209-Y212 HydrophobicContact CG1-CE1 3.94Å
210L98.8Very high97.9Very high3 Ų324 Ų242%0.01612%0.115CC..EExtended strand (participates in β ladder)trans-67.8-44.9-179.7-177.257.8000110I28 F36 F46 V79 Y117 V118 I119 N208 L259 F261 F351I28-L210 HydrophobicContact CB-CD1 3.61Å; I28-L210 HydrophobicContact CG1-CD1 3.88Å; I28-L210 HydrophobicContact CG2-CD1 3.75Å; F36-L210 HydrophobicContact CD1-CD1 4.43Å; F46-L210 HydrophobicContact CD2-CD2 4.27Å; F46-L210 HydrophobicContact CE2-CD1 4.27Å; F46-L210 HydrophobicContact CE2-CD2 4.22Å; F46-L210 HydrophobicContact CG-CD2 4.44Å; F46-L210 HydrophobicContact CZ-CD1 4.11Å; F46-L210 HydrophobicContact CZ-CD2 4.37Å; V79-L210 HydrophobicContact CG2-CD2 4.24Å; Y117-L210 HydrophobicContact CD1-CB 4.28Å; V118-L210 WeakPolarHBondContact O-CB 3.02Å; V118-L210 PolarHBondContact O-N 2.95Å; I119-L210 HydrophobicContact CD1-CD2 4.21Å; I119-L210 HydrophobicContact CG1-CB 4.26Å; I119-L210 HydrophobicContact CG1-CD2 3.9Å; I119-L210 HydrophobicContact CG1-CG 4.39Å; N208-L210 PolarHBondContact O-N 3.23Å; L210-L259 HydrophobicContact CD1-CD1 3.7Å; L210-L259 HydrophobicContact CG-CD1 4.13Å; L210-L259 VanDerWaalsContact O-CB 3.27Å; L210-L259 WeakPolarHBondContact O-CB 3.26Å; L210-L259 VanDerWaalsContact O-CG 3.3Å; L210-L259 WeakPolarHBondContact O-CG 3.4Å; L210-L259 PolarHBondContact O-N 2.85Å; L210-F261 HydrophobicContact CD2-CZ 4Å; L210-F261 HydrophobicContact CG-CE2 4.17Å; L210-F261 HydrophobicContact CG-CZ 4.09Å; L210-F351 HydrophobicContact CD2-CE2 4.23Å
211G98.8Very high97.9Very high0 Ų024 Ų240%011%0.114CC..EExtended strand (participates in β ladder)trans-179.9-172178.500000115.3L120 L259L120-G211 PolarHBondContact N-O 3.47Å; G211-L259 CarbonylContact C-O 3.16Å; G211-L259 WeakPolarHBondContact CA-O 3.39Å
212Y98.9Very high97.9Very high0 Ų019 Ų190%09%0.093CC..EExtended strand (participates in β ladder)trans-119.2115.9-175.8-53.8-53.2000109.7L120 W196 I199 G204 V209 L214 I251 D255 L259 I260 F261L120-Y212 HydrophobicContact CB-CD1 4.29Å; L120-Y212 HydrophobicContact CD1-CD1 4.3Å; L120-Y212 HydrophobicContact CD1-CE1 4.11Å; W196-Y212 HydrophobicContact CE3-CD1 4.25Å; W196-Y212 HydrophobicContact CE3-CG 4.15Å; W196-Y212 VanDerWaalsContact CZ3-CB 3.49Å; W196-Y212 AromaticContact CZ3-CD1 3.78Å; W196-Y212 HydrophobicContact CZ3-CD1 3.78Å; W196-Y212 AromaticContact CZ3-CG 3.87Å; W196-Y212 HydrophobicContact CZ3-CG 3.87Å; I199-Y212 HydrophobicContact CG2-CD1 3.93Å; I199-Y212 HydrophobicContact CG2-CE1 3.72Å; G204-Y212 VanDerWaalsContact CA-OH 3.31Å; G204-Y212 WeakPolarHBondContact CA-OH 3.2Å; V209-Y212 HydrophobicContact CG1-CE1 3.94Å; Y212-L214 PolarHBondContact O-N 3.3Å; Y212-I251 HydrophobicContact CD2-CD1 4.33Å; Y212-I251 HydrophobicContact CD2-CG2 3.83Å; Y212-I251 HydrophobicContact CE2-CG2 3.76Å; Y212-D255 HydrophobicContact CE2-CB 4.38Å; Y212-D255 WeakPolarHBondContact CE2-OD2 3.45Å; Y212-D255 PolarHBondContact OH-OD2 3.33Å; Y212-L259 PolarHBondContact N-O 3.01Å; Y212-I260 HydrophobicContact CD2-CD1 4.11Å; Y212-F261 WeakPolarHBondContact O-CB 3.36Å; Y212-F261 PolarHBondContact O-N 3Å
213D98.9Very high97.8Very high0 Ų018.2 Ų18.20%09%0.089CC..EExtended strand (participates in β ladder)trans-85.7105.4172.8-150.5-12.7000109.8R81 I119 L120 D121 M122 W196 I215 F261 S302R81-D213 IonicContact CZ-OD2 3.97Å; R81-D213 VanDerWaalsContact CZ-OD2 3.31Å; R81-D213 IonicContact NE-OD2 2.69Å; R81-D213 PolarHBondContact NE-OD2 2.88Å; R81-D213 IonicContact NH2-OD2 2.67Å; R81-D213 PolarHBondContact NH2-OD2 3.12Å; I119-D213 HydrophobicContact CG2-CB 4.13Å; L120-D213 PolarHBondContact O-N 2.8Å; D121-D213 HydrophobicContact CB-CB 4.15Å; M122-D213 PolarHBondContact N-O 3.13Å; M122-D213 VanDerWaalsContact N-O 3.12Å; W196-D213 VanDerWaalsContact CH2-O 3.27Å; W196-D213 WeakPolarHBondContact CH2-O 3.19Å; W196-D213 WeakPolarHBondContact CZ2-O 3.08Å; D213-I215 PolarHBondContact O-N 3.49Å; D213-F261 HydrophobicContact CB-CB 3.94Å; D213-S302 PolarHBondContact OD2-OG 2.96Å; D213-S302 VanDerWaalsContact OD2-OG 3.04Å
214L98.9Very high97.8Very high0 Ų022 Ų220%010%0.104CC..  trans-59-34.9-162.3-70.6-179.8000113.4M122 W192 W196 Y212 Y244 L247 V248 I251 I260 F261M122-L214 WeakPolarHBondContact CE-O 3.46Å; W192-L214 WeakPolarHBondContact CZ2-O 3.49Å; W192-L214 PolarHBondContact NE1-O 3.17Å; W196-L214 VanDerWaalsContact CZ2-CA 3.46Å; W196-L214 HydrophobicContact CZ2-CD2 4.49Å; W196-L214 WeakPolarHBondContact CZ2-O 3.05Å; W196-L214 PolarHBondContact NE1-O 3.44Å; Y212-L214 PolarHBondContact O-N 3.3Å; L214-Y244 HydrophobicContact CB-CD1 4.32Å; L214-Y244 HydrophobicContact CB-CE1 4.2Å; L214-Y244 HydrophobicContact CD1-CD1 3.72Å; L214-Y244 HydrophobicContact CD1-CD2 4.28Å; L214-Y244 HydrophobicContact CD1-CE1 4.32Å; L214-Y244 HydrophobicContact CD1-CG 3.71Å; L214-L247 HydrophobicContact CD2-CB 4.21Å; L214-L247 HydrophobicContact CD2-CD1 4.34Å; L214-V248 HydrophobicContact CD1-CG2 4.42Å; L214-I251 HydrophobicContact CD2-CD1 3.69Å; L214-I260 HydrophobicContact CD1-CG2 3.71Å; L214-I260 HydrophobicContact CD2-CG2 4.24Å; L214-I260 HydrophobicContact CG-CG2 3.89Å; L214-F261 WeakPolarHBondContact CG-O 3.46Å; L214-F261 PolarHBondContact N-O 3.33Å
215I98.7Very high97.8Very high0 Ų025.3 Ų25.30%012%0.122CC..  trans-168.1129175.7179.6163.6000108.9M122 Q124 W192 D213 P218 Y244M122-I215 HydrophobicContact CE-CB 3.62Å; M122-I215 HydrophobicContact CE-CD1 3.95Å; M122-I215 HydrophobicContact CE-CG1 3.73Å; Q124-I215 HydrophobicContact CG-CD1 3.95Å; Q124-I215 HydrophobicContact CG-CG1 3.73Å; W192-I215 HydrophobicContact CH2-CB 4.15Å; W192-I215 HydrophobicContact CH2-CD1 3.89Å; W192-I215 HydrophobicContact CH2-CG2 3.96Å; W192-I215 HydrophobicContact CZ2-CB 3.7Å; W192-I215 HydrophobicContact CZ2-CD1 4.1Å; W192-I215 HydrophobicContact CZ2-CG1 4.47Å; W192-I215 HydrophobicContact CZ2-CG2 3.85Å; D213-I215 PolarHBondContact O-N 3.49Å; I215-P218 HydrophobicContact CD1-CB 4.46Å; I215-P218 HydrophobicContact CG1-CB 4.49Å; I215-P218 HydrophobicContact CG2-CB 3.93Å; I215-P218 HydrophobicContact CG2-CG 4.33Å; I215-Y244 HydrophobicContact CG2-CE1 3.65Å; I215-Y244 WeakPolarHBondContact CG2-OH 3.38Å
216N98.4Very high97.8Very high0 Ų017 Ų170%09%0.088CC..SBendtrans-68.5136.5169.9-173.982.2000111.4R81 M122 H123 Q124 D125 H304 E354R81-N216 PolarHBondContact NH1-OD1 3.07Å; R81-N216 VanDerWaalsContact NH1-OD1 3.08Å; R81-N216 PolarHBondContact NH2-OD1 3.18Å; M122-N216 PolarHBondContact O-N 2.98Å; H123-N216 PolarHBondContact CE1-ND2 2.93Å; H123-N216 PolarHBondContact CE1-OD1 2.92Å; H123-N216 VanDerWaalsContact CE1-OD1 3.28Å; H123-N216 PolarHBondContact ND1-OD1 3.48Å; Q124-N216 WeakPolarHBondContact CG-O 3.27Å; Q124-N216 PolarHBondContact NE2-O 2.95Å; Q124-N216 PolarHBondContact O-ND2 3.47Å; Q124-N216 VanDerWaalsContact O-ND2 3.16Å; D125-N216 PolarHBondContact OD1-ND2 3.47Å; N216-H304 PolarHBondContact OD1-CE1 2.95Å; N216-E354 PolarHBondContact OD1-OE2 3.24Å
217E96.4Very high97.8Very high29 Ų2920.1 Ų20.114%0.13611%0.111CC..SBendtrans42.958.2170.5-65.6-151.7164.300115.2Q124 Y169 P219 E263 T266 H304Q124-E217 PolarHBondContact NE2-O 3.3Å; Y169-E217 PolarHBondContact OH-O 2.87Å; E217-P219 WeakPolarHBondContact O-CD 3.39Å; E217-E263 PolarHBondContact N-OE2 3.08Å; E217-T266 WeakPolarHBondContact CA-OG1 3.2Å; E217-T266 HydrophobicContact CB-CG2 4.44Å; E217-T266 WeakPolarHBondContact CB-OG1 3.31Å; E217-T266 HydrophobicContact CG-CG2 3.97Å; E217-H304 WeakPolarHBondContact CG-ND1 2.98Å; E217-H304 IonicContact OE1-CE1 3.29Å; E217-H304 IonicContact OE1-CG 2.94Å; E217-H304 IonicContact OE1-ND1 2.91Å; E217-H304 PolarHBondContact OE1-ND1 3.4Å
218P97.5Very high97.8Very high0 Ų021.4 Ų21.40%012%0.115CC..  trans-63.2128.3-173.125.8-34.6000111.6I215 L240 E263 P264 V265I215-P218 HydrophobicContact CD1-CB 4.46Å; I215-P218 HydrophobicContact CG1-CB 4.49Å; I215-P218 HydrophobicContact CG2-CB 3.93Å; I215-P218 HydrophobicContact CG2-CG 4.33Å; P218-L240 HydrophobicContact CB-CD1 4.02Å; P218-L240 HydrophobicContact CB-CD2 3.72Å; P218-L240 HydrophobicContact CG-CD1 3.79Å; P218-L240 HydrophobicContact CG-CD2 4.38Å; P218-E263 HydrophobicContact CG-CB 3.95Å; P218-P264 WeakPolarHBondContact CD-O 3.28Å; P218-P264 WeakPolarHBondContact CG-O 3.4Å; P218-V265 WeakPolarHBondContact O-CA 3.35Å
219P96.2Very high97.7Very high6 Ų622.7 Ų22.74%0.03912%0.12CC..  trans-67.1159.9175.723.3-32.5000113.2L127 Y169 A178 Y182 E217 G221L127-P219 HydrophobicContact CD2-CG 4.16Å; Y169-P219 HydrophobicContact CD1-CB 3.7Å; Y169-P219 HydrophobicContact CD1-CG 4.29Å; Y169-P219 HydrophobicContact CE1-CB 3.83Å; Y169-P219 HydrophobicContact CE1-CG 4Å; A178-P219 HydrophobicContact CB-CB 4.05Å; A178-P219 HydrophobicContact CB-CG 3.51Å; Y182-P219 WeakPolarHBondContact CE2-O 3.24Å; Y182-P219 VanDerWaalsContact OH-CD 3.29Å; Y182-P219 WeakPolarHBondContact OH-CD 3.38Å; Y182-P219 PolarHBondContact OH-O 3.49Å; E217-P219 WeakPolarHBondContact O-CD 3.39Å; P219-G221 VanDerWaalsContact C-N 3.25Å; P219-G221 PolarHBondContact O-N 2.87Å
220P96.1Very high97.5Very high12 Ų1223.9 Ų23.98%0.07813%0.133CC..  trans-68.7-19.2178.524.4-32.5000114.7F223 R229 A235 N239 V265 Y267P220-F223 HydrophobicContact CG-CD1 4.3Å; P220-R229 WeakPolarHBondContact CB-O 3.16Å; P220-A235 HydrophobicContact CB-CB 4.11Å; P220-A235 WeakPolarHBondContact O-CB 3.32Å; P220-N239 PolarHBondContact O-ND2 3.09Å; P220-V265 HydrophobicContact CB-CG1 4.13Å; P220-V265 HydrophobicContact CB-CG2 4.38Å; P220-Y267 HydrophobicContact CG-CE1 4.38Å
221G97.6Very high97.4Very high1 Ų128 Ų281%0.0115%0.15CC..  trans90.8-168.9-16700000112.6S175 P219 F223S175-G221 CarbonylContact O-C 3.52Å; P219-G221 VanDerWaalsContact C-N 3.25Å; P219-G221 PolarHBondContact O-N 2.87Å; G221-F223 WeakPolarHBondContact O-CD1 3.13Å; G221-F223 PolarHBondContact O-N 3.33Å
222N97.9Very high97.3Very high0 Ų028.2 Ų28.20%015%0.152CC..  trans-8093.7-170.1-170.7-19.6000112.1S175 E176 Q179 Y224 T225 N226 R229S175-N222 WeakPolarHBondContact O-CA 3.47Å; S175-N222 WeakPolarHBondContact O-CB 3.42Å; S175-N222 PolarHBondContact O-N 3.19Å; S175-N222 VanDerWaalsContact O-N 3.08Å; E176-N222 PolarHBondContact OE2-ND2 3.13Å; Q179-N222 HydrophobicContact CB-CB 3.79Å; Q179-N222 HydrophobicContact CG-CB 4.24Å; N222-Y224 VanDerWaalsContact C-N 3.31Å; N222-Y224 WeakPolarHBondContact OD1-CA 3.43Å; N222-Y224 VanDerWaalsContact OD1-CB 3.26Å; N222-Y224 WeakPolarHBondContact OD1-CB 3.21Å; N222-Y224 PolarHBondContact OD1-N 2.96Å; N222-T225 WeakPolarHBondContact ND2-CG2 3.34Å; N222-T225 PolarHBondContact O-OG1 3Å; N222-T225 PolarHBondContact OD1-N 3.49Å; N222-T225 VanDerWaalsContact OD1-N 3.16Å; N222-N226 PolarHBondContact O-N 2.78Å; N222-R229 WeakPolarHBondContact O-CD 3.24Å; N222-R229 PolarHBondContact O-NH1 2.8Å
223F97.4Very high97.2Very high43 Ų4328.2 Ų28.219%0.18915%0.152CC..THydrogen-bonded Turntrans-76.4-12.9176.657.2-96.7000113.9L170 P220 G221 N226 P227 R229L170-F223 HydrophobicContact CD2-CZ 4.28Å; P220-F223 HydrophobicContact CG-CD1 4.3Å; G221-F223 WeakPolarHBondContact O-CD1 3.13Å; G221-F223 PolarHBondContact O-N 3.33Å; F223-N226 WeakPolarHBondContact CA-O 3.01Å; F223-N226 CarbonylContact O-C 3.59Å; F223-N226 VanDerWaalsContact O-C 3.25Å; F223-P227 WeakPolarHBondContact O-CA 3.48Å; F223-P227 VanDerWaalsContact O-N 3.13Å; F223-R229 HydrophobicContact CB-CB 4.43Å
224Y97.7Very high97.1Very high80 Ų8030.2 Ų30.231%0.31416%0.16SC..THydrogen-bonded Turntrans-70.9-38.8173-63.2-81000111.9W156 P157 L170 Y172 N222W156-Y224 AromaticContact CH2-CD1 3.76Å; W156-Y224 HydrophobicContact CH2-CD1 3.76Å; W156-Y224 AromaticContact CH2-CE1 3.58Å; W156-Y224 HydrophobicContact CH2-CE1 3.58Å; W156-Y224 AromaticContact CZ3-CD1 3.73Å; W156-Y224 HydrophobicContact CZ3-CD1 3.73Å; W156-Y224 HydrophobicContact CZ3-CD2 4.32Å; W156-Y224 AromaticContact CZ3-CE1 3.4Å; W156-Y224 HydrophobicContact CZ3-CE1 3.4Å; W156-Y224 HydrophobicContact CZ3-CE2 4.04Å; W156-Y224 HydrophobicContact CZ3-CG 4.18Å; W156-Y224 AromaticContact CZ3-CZ 3.57Å; P157-Y224 WeakPolarHBondContact CD-OH 3.24Å; P157-Y224 WeakPolarHBondContact CG-OH 3.27Å; L170-Y224 PolarHBondContact O-OH 3.41Å; Y172-Y224 AromaticContact CD2-CD2 3.75Å; Y172-Y224 HydrophobicContact CD2-CD2 3.75Å; Y172-Y224 AromaticContact CD2-CG 3.76Å; Y172-Y224 HydrophobicContact CD2-CG 3.76Å; Y172-Y224 HydrophobicContact CE2-CG 4.32Å; Y172-Y224 HydrophobicContact CG-CD2 4.28Å; N222-Y224 VanDerWaalsContact C-N 3.31Å; N222-Y224 WeakPolarHBondContact OD1-CA 3.43Å; N222-Y224 VanDerWaalsContact OD1-CB 3.26Å; N222-Y224 WeakPolarHBondContact OD1-CB 3.21Å; N222-Y224 PolarHBondContact OD1-N 2.96Å
225T97.3Very high97.1Very high79 Ų7930.2 Ų30.249%0.48516%0.16SC..THydrogen-bonded Turntrans-83.8-24.7178.156.80000112.9Y172 N222 R229Y172-T225 HydrophobicContact CE2-CG2 4.42Å; Y172-T225 WeakPolarHBondContact OH-CG2 3.48Å; N222-T225 WeakPolarHBondContact ND2-CG2 3.34Å; N222-T225 PolarHBondContact O-OG1 3Å; N222-T225 PolarHBondContact OD1-N 3.49Å; N222-T225 VanDerWaalsContact OD1-N 3.16Å; T225-R229 PolarHBondContact OG1-NH1 3.08Å
226N97.6Very high97Very high37 Ų3730.2 Ų30.220%0.19816%0.16CC..  trans-146.199.8171.3179.33.4000110.2N222 F223 L228 R229 Y234N222-N226 PolarHBondContact O-N 2.78Å; F223-N226 WeakPolarHBondContact CA-O 3.01Å; F223-N226 CarbonylContact O-C 3.59Å; F223-N226 VanDerWaalsContact O-C 3.25Å; N226-L228 PolarHBondContact O-N 3.13Å; N226-L228 VanDerWaalsContact OD1-CB 3.32Å; N226-L228 WeakPolarHBondContact OD1-CB 3.41Å; N226-L228 PolarHBondContact OD1-N 3.43Å; N226-L228 VanDerWaalsContact OD1-N 3.11Å; N226-R229 HydrophobicContact CB-CG 4.25Å; N226-R229 WeakPolarHBondContact O-CB 3.18Å; N226-R229 PolarHBondContact O-N 3.06Å; N226-Y234 PolarHBondContact ND2-OH 3.4Å; N226-Y234 VanDerWaalsContact ND2-OH 3.11Å
227P97.1Very high96.9Very high96 Ų9632.7 Ų32.762%0.62317%0.169SC*.G310 helixtrans-55.4-23.4-178.8-28.836.1000114.4F223 R229 G230F223-P227 WeakPolarHBondContact O-CA 3.48Å; F223-P227 VanDerWaalsContact O-N 3.13Å; P227-R229 PolarHBondContact O-N 2.95Å; P227-G230 PolarHBondContact O-N 3.09Å
228L95.9Very high96.9Very high59 Ų5937.5 Ų37.531%0.30919%0.187SC..G310 helixtrans-62.4-27.2177.3-64177.5000112.9N226 G230 F231 Y234N226-L228 PolarHBondContact O-N 3.13Å; N226-L228 VanDerWaalsContact OD1-CB 3.32Å; N226-L228 WeakPolarHBondContact OD1-CB 3.41Å; N226-L228 PolarHBondContact OD1-N 3.43Å; N226-L228 VanDerWaalsContact OD1-N 3.11Å; L228-G230 PolarHBondContact O-N 3.37Å; L228-F231 HydrophobicContact CD2-CD2 4.15Å; L228-F231 HydrophobicContact CD2-CE2 4.18Å; L228-F231 WeakPolarHBondContact O-CB 3.32Å; L228-F231 PolarHBondContact O-N 2.87Å; L228-Y234 HydrophobicContact CB-CD1 4Å; L228-Y234 HydrophobicContact CB-CD2 3.83Å; L228-Y234 HydrophobicContact CB-CE1 4.04Å; L228-Y234 HydrophobicContact CB-CE2 3.88Å; L228-Y234 HydrophobicContact CB-CG 3.9Å; L228-Y234 HydrophobicContact CD1-CD2 4.25Å; L228-Y234 HydrophobicContact CD1-CE2 3.81Å; L228-Y234 VanDerWaalsContact O-CB 3.28Å; L228-Y234 WeakPolarHBondContact O-CB 3.42Å
229R96.6Very high96.9Very high30 Ų3037.9 Ų37.911%0.11319%0.189CC..G310 helixtrans-64.8-24.3176.2-65.6175.5-176.6135.3-9.7112.5Q179 E183 P220 N222 F223 T225 N226 P227 F231 Y234 A235Q179-R229 VanDerWaalsContact CD-NE 3.32Å; Q179-R229 VanDerWaalsContact NE2-NH2 3.1Å; Q179-R229 VanDerWaalsContact OE1-NE 3.1Å; E183-R229 IonicContact OE1-NH2 3.9Å; E183-R229 PolarHBondContact OE1-NH2 3.32Å; P220-R229 WeakPolarHBondContact CB-O 3.16Å; N222-R229 WeakPolarHBondContact O-CD 3.24Å; N222-R229 PolarHBondContact O-NH1 2.8Å; F223-R229 HydrophobicContact CB-CB 4.43Å; T225-R229 PolarHBondContact OG1-NH1 3.08Å; N226-R229 HydrophobicContact CB-CG 4.25Å; N226-R229 WeakPolarHBondContact O-CB 3.18Å; N226-R229 PolarHBondContact O-N 3.06Å; P227-R229 PolarHBondContact O-N 2.95Å; R229-F231 PolarHBondContact O-N 3.48Å; R229-Y234 HydrophobicContact CG-CD1 4.08Å; R229-Y234 HydrophobicContact CG-CE1 3.85Å; R229-A235 WeakPolarHBondContact O-CB 3.34Å
230G95.5Very high97.1Very high27 Ų2737.6 Ų37.628%0.27819%0.187SC..G310 helixtrans-63.4-21.1171.300000113.2P227 L228 Y267P227-G230 PolarHBondContact O-N 3.09Å; L228-G230 PolarHBondContact O-N 3.37Å; G230-Y267 WeakPolarHBondContact O-CE2 3.49Å; G230-Y267 PolarHBondContact O-OH 3.37Å
231F96.5Very high97.1Very high88 Ų8837.8 Ų37.839%0.38619%0.188SC..SBendtrans-83124.1172-62.1-74.4000110.6L228 R229 G233 Y234 A235 W278 L279L228-F231 HydrophobicContact CD2-CD2 4.15Å; L228-F231 HydrophobicContact CD2-CE2 4.18Å; L228-F231 WeakPolarHBondContact O-CB 3.32Å; L228-F231 PolarHBondContact O-N 2.87Å; R229-F231 PolarHBondContact O-N 3.48Å; F231-G233 VanDerWaalsContact C-N 3.31Å; F231-G233 PolarHBondContact O-N 2.85Å; F231-Y234 WeakPolarHBondContact O-CB 2.93Å; F231-Y234 PolarHBondContact O-N 2.58Å; F231-Y234 VanDerWaalsContact O-N 3.09Å; F231-A235 PolarHBondContact O-N 2.69Å; F231-A235 VanDerWaalsContact O-N 3.09Å; F231-W278 CarbonylContact C-O 3.25Å; F231-W278 HydrophobicContact CB-CB 4.15Å; F231-W278 VanDerWaalsContact CB-O 3.28Å; F231-W278 WeakPolarHBondContact CB-O 3.31Å; F231-W278 HydrophobicContact CG-CB 4.35Å; F231-L279 HydrophobicContact CD1-CD2 4.19Å
232P96.7Very high97.2Very high6 Ų640 Ų404%0.03920%0.202CC..Hα-helixtrans-68.2-31.2-166.327.1-32.7000112.5G236 V265 Y267 G280P232-G236 PolarHBondContact O-N 3.37Å; P232-V265 HydrophobicContact CB-CB 4.08Å; P232-V265 HydrophobicContact CB-CG1 4.45Å; P232-Y267 HydrophobicContact CB-CD2 4.04Å; P232-Y267 HydrophobicContact CB-CE2 3.82Å; P232-Y267 HydrophobicContact CG-CD2 4.05Å; P232-Y267 HydrophobicContact CG-CE2 3.94Å; P232-G280 CarbonylContact C-O 3.57Å
233G96.9Very high97.2Very high0 Ų040 Ų400%020%0.202CC..Hα-helixtrans-72.3-31.2177.500000112.8F231 R237 G277 W278 G280 G282F231-G233 VanDerWaalsContact C-N 3.31Å; F231-G233 PolarHBondContact O-N 2.85Å; G233-R237 VanDerWaalsContact O-CB 3.28Å; G233-R237 WeakPolarHBondContact O-CB 3.47Å; G233-R237 PolarHBondContact O-N 2.91Å; G233-R237 VanDerWaalsContact O-N 3.14Å; G233-G277 CarbonylContact C-O 3.53Å; G233-W278 WeakPolarHBondContact CA-O 3.42Å; G233-W278 PolarHBondContact N-O 3.33Å; G233-G280 VanDerWaalsContact CA-O 3.25Å; G233-G280 WeakPolarHBondContact CA-O 3.22Å; G233-G280 PolarHBondContact N-O 2.99Å; G233-G282 VanDerWaalsContact CA-CA 3.47Å; G233-G282 WeakPolarHBondContact O-CA 3.26Å
234Y97Very high97.3Very high42 Ų4238 Ų3817%0.16519%0.193CC..Hα-helixtrans-68.9-52.1172.2-177.1-82.1000110.1N226 L228 R229 F231 G236 R237 Y238 G277 W278N226-Y234 PolarHBondContact ND2-OH 3.4Å; N226-Y234 VanDerWaalsContact ND2-OH 3.11Å; L228-Y234 HydrophobicContact CB-CD1 4Å; L228-Y234 HydrophobicContact CB-CD2 3.83Å; L228-Y234 HydrophobicContact CB-CE1 4.04Å; L228-Y234 HydrophobicContact CB-CE2 3.88Å; L228-Y234 HydrophobicContact CB-CG 3.9Å; L228-Y234 HydrophobicContact CD1-CD2 4.25Å; L228-Y234 HydrophobicContact CD1-CE2 3.81Å; L228-Y234 VanDerWaalsContact O-CB 3.28Å; L228-Y234 WeakPolarHBondContact O-CB 3.42Å; R229-Y234 HydrophobicContact CG-CD1 4.08Å; R229-Y234 HydrophobicContact CG-CE1 3.85Å; F231-Y234 WeakPolarHBondContact O-CB 2.93Å; F231-Y234 PolarHBondContact O-N 2.58Å; F231-Y234 VanDerWaalsContact O-N 3.09Å; Y234-G236 PolarHBondContact O-N 2.77Å; Y234-R237 PolarHBondContact O-N 3.16Å; Y234-Y238 AromaticContact CD1-CD2 3.92Å; Y234-Y238 HydrophobicContact CD1-CD2 3.92Å; Y234-Y238 AromaticContact CD2-CD2 3.51Å; Y234-Y238 HydrophobicContact CD2-CD2 3.51Å; Y234-Y238 AromaticContact CD2-CE2 3.53Å; Y234-Y238 HydrophobicContact CD2-CE2 3.53Å; Y234-Y238 AromaticContact CE1-CD2 3.89Å; Y234-Y238 HydrophobicContact CE1-CD2 3.89Å; Y234-Y238 HydrophobicContact CE1-CG 4.38Å; Y234-Y238 AromaticContact CE2-CD2 3.47Å; Y234-Y238 HydrophobicContact CE2-CD2 3.47Å; Y234-Y238 VanDerWaalsContact CE2-CD2 3.47Å; Y234-Y238 AromaticContact CE2-CE2 3.5Å; Y234-Y238 HydrophobicContact CE2-CE2 3.5Å; Y234-Y238 VanDerWaalsContact CE2-CE2 3.5Å; Y234-Y238 HydrophobicContact CE2-CG 4.42Å; Y234-Y238 AromaticContact CG-CD2 3.74Å; Y234-Y238 HydrophobicContact CG-CD2 3.74Å; Y234-Y238 HydrophobicContact CG-CE2 4.18Å; Y234-Y238 AromaticContact CZ-CD2 3.67Å; Y234-Y238 VanDerWaalsContact O-CD2 3.26Å; Y234-Y238 WeakPolarHBondContact O-CD2 3.26Å; Y234-Y238 PolarHBondContact O-N 2.96Å; Y234-G277 PolarHBondContact N-O 3.32Å; Y234-W278 PolarHBondContact N-O 3.44Å
235A97.6Very high97.3Very high0 Ų035 Ų350%018%0.183CC..Hα-helixtrans-60-44.5177.600000112.2P220 R229 F231 R237 Y238 N239 L240 V265P220-A235 HydrophobicContact CB-CB 4.11Å; P220-A235 WeakPolarHBondContact O-CB 3.32Å; R229-A235 WeakPolarHBondContact O-CB 3.34Å; F231-A235 PolarHBondContact O-N 2.69Å; F231-A235 VanDerWaalsContact O-N 3.09Å; A235-R237 VanDerWaalsContact C-N 3.28Å; A235-R237 PolarHBondContact O-N 3.3Å; A235-Y238 PolarHBondContact O-N 2.83Å; A235-N239 WeakPolarHBondContact O-CA 3.37Å; A235-N239 VanDerWaalsContact O-CB 3.25Å; A235-N239 WeakPolarHBondContact O-CB 3.32Å; A235-N239 PolarHBondContact O-N 2.04Å; A235-L240 PolarHBondContact O-N 2.89Å; A235-L240 VanDerWaalsContact O-N 3.09Å; A235-V265 HydrophobicContact CB-CG2 3.61Å
236G97.2Very high97.4Very high0 Ų033.7 Ų33.70%017%0.169CC..Iπ-helixtrans-57.8-39.6175.200000112.9P232 Y234 L241 F283P232-G236 PolarHBondContact O-N 3.37Å; Y234-G236 PolarHBondContact O-N 2.77Å; G236-L241 WeakPolarHBondContact O-CB 3.32Å; G236-L241 PolarHBondContact O-N 3.14Å; G236-F283 VanDerWaalsContact O-CE1 3.29Å; G236-F283 WeakPolarHBondContact O-CE1 3.48Å
237R95.9Very high97.5Very high51 Ų5131.9 Ų31.919%0.19216%0.16CC..Iπ-helixtrans-75.1-44.8179.9-178.4173.2-62.6157.99.2113.9G233 Y234 A235G233-R237 VanDerWaalsContact O-CB 3.28Å; G233-R237 WeakPolarHBondContact O-CB 3.47Å; G233-R237 PolarHBondContact O-N 2.91Å; G233-R237 VanDerWaalsContact O-N 3.14Å; Y234-R237 PolarHBondContact O-N 3.16Å; A235-R237 VanDerWaalsContact C-N 3.28Å; A235-R237 PolarHBondContact O-N 3.3Å
238Y96.9Very high97.6Very high130 Ų13027.7 Ų27.751%0.5113%0.132SC..Iπ-helixtrans-101.2-24.2-167.7-65.6-71.9000113.6Y234 A235Y234-Y238 AromaticContact CD1-CD2 3.92Å; Y234-Y238 HydrophobicContact CD1-CD2 3.92Å; Y234-Y238 AromaticContact CD2-CD2 3.51Å; Y234-Y238 HydrophobicContact CD2-CD2 3.51Å; Y234-Y238 AromaticContact CD2-CE2 3.53Å; Y234-Y238 HydrophobicContact CD2-CE2 3.53Å; Y234-Y238 AromaticContact CE1-CD2 3.89Å; Y234-Y238 HydrophobicContact CE1-CD2 3.89Å; Y234-Y238 HydrophobicContact CE1-CG 4.38Å; Y234-Y238 AromaticContact CE2-CD2 3.47Å; Y234-Y238 HydrophobicContact CE2-CD2 3.47Å; Y234-Y238 VanDerWaalsContact CE2-CD2 3.47Å; Y234-Y238 AromaticContact CE2-CE2 3.5Å; Y234-Y238 HydrophobicContact CE2-CE2 3.5Å; Y234-Y238 VanDerWaalsContact CE2-CE2 3.5Å; Y234-Y238 HydrophobicContact CE2-CG 4.42Å; Y234-Y238 AromaticContact CG-CD2 3.74Å; Y234-Y238 HydrophobicContact CG-CD2 3.74Å; Y234-Y238 HydrophobicContact CG-CE2 4.18Å; Y234-Y238 AromaticContact CZ-CD2 3.67Å; Y234-Y238 VanDerWaalsContact O-CD2 3.26Å; Y234-Y238 WeakPolarHBondContact O-CD2 3.26Å; Y234-Y238 PolarHBondContact O-N 2.96Å; A235-Y238 PolarHBondContact O-N 2.83Å
239N98.1Very high97.7Very high9 Ų928.3 Ų28.35%0.04813%0.133CC..Iπ-helixtrans-101.9-58.5175.7-75.5-12.6000111.2Q179 Y182 P220 A235Q179-N239 PolarHBondContact NE2-OD1 3.45Å; Q179-N239 VanDerWaalsContact NE2-OD1 3.13Å; Q179-N239 PolarHBondContact OE1-ND2 3Å; Y182-N239 HydrophobicContact CD2-CB 3.54Å; Y182-N239 HydrophobicContact CE2-CB 4.18Å; Y182-N239 HydrophobicContact CG-CB 3.79Å; P220-N239 PolarHBondContact O-ND2 3.09Å; A235-N239 WeakPolarHBondContact O-CA 3.37Å; A235-N239 VanDerWaalsContact O-CB 3.25Å; A235-N239 WeakPolarHBondContact O-CB 3.32Å; A235-N239 PolarHBondContact O-N 2.04Å
240L98.6Very high97.8Very high0 Ų029 Ų290%014%0.136CC..Iπ-helixtrans-76.9-50.2-168.6-56.6-178.6000114.2Y182 P218 A235 V243 Y244 V265 F283Y182-L240 HydrophobicContact CD1-CD2 4.29Å; Y182-L240 HydrophobicContact CE1-CD2 3.57Å; Y182-L240 HydrophobicContact CE2-CD2 4.23Å; P218-L240 HydrophobicContact CB-CD1 4.02Å; P218-L240 HydrophobicContact CB-CD2 3.72Å; P218-L240 HydrophobicContact CG-CD1 3.79Å; P218-L240 HydrophobicContact CG-CD2 4.38Å; A235-L240 PolarHBondContact O-N 2.89Å; A235-L240 VanDerWaalsContact O-N 3.09Å; L240-V243 WeakPolarHBondContact O-CG1 3.46Å; L240-V243 PolarHBondContact O-N 3.34Å; L240-Y244 HydrophobicContact CB-CD2 4.34Å; L240-Y244 HydrophobicContact CB-CE2 3.93Å; L240-Y244 WeakPolarHBondContact O-CB 3.17Å; L240-Y244 VanDerWaalsContact O-CG 3.23Å; L240-Y244 PolarHBondContact O-N 2.53Å; L240-V265 HydrophobicContact CD1-CG2 3.88Å; L240-F283 HydrophobicContact CB-CE1 4.11Å; L240-F283 HydrophobicContact CB-CZ 4.14Å; L240-F283 HydrophobicContact CD1-CZ 4.32Å
241L98.1Very high98Very high16 Ų1627.7 Ų27.78%0.08412%0.123CC..Hα-helixtrans-58.1-42.6-174.6-17561000113.8G236 Y244 D245 F283 P287G236-L241 WeakPolarHBondContact O-CB 3.32Å; G236-L241 PolarHBondContact O-N 3.14Å; L241-Y244 PolarHBondContact O-N 3Å; L241-D245 PolarHBondContact O-N 2.93Å; L241-F283 HydrophobicContact CB-CD1 3.96Å; L241-F283 HydrophobicContact CB-CE1 3.98Å; L241-F283 HydrophobicContact CD1-CD1 4.05Å; L241-F283 HydrophobicContact CD1-CE1 4.47Å; L241-F283 HydrophobicContact CG-CD1 4.4Å; L241-P287 HydrophobicContact CD1-CG 4.28Å
242P98.4Very high98Very high48 Ų4824.8 Ų24.831%0.31211%0.109SC..Hα-helixtrans-62.7-43.5178-24.736.4000113.4W189 D245 Y246W189-P242 HydrophobicContact CH2-CB 3.83Å; W189-P242 HydrophobicContact CZ2-CB 4.35Å; P242-D245 PolarHBondContact O-N 3.09Å; P242-Y246 PolarHBondContact O-N 3.23Å
243V98.7Very high98.1Very high0 Ų029.2 Ų29.20%013%0.129CC..Hα-helixtrans-69-40.2177.364.90000110.5Y182 W189 W192 L240 D245 Y246 L247Y182-V243 HydrophobicContact CD1-CG1 4.22Å; W189-V243 HydrophobicContact CD2-CB 4.31Å; W189-V243 HydrophobicContact CD2-CG2 4.06Å; W189-V243 HydrophobicContact CG-CG2 4.01Å; W189-V243 HydrophobicContact CZ2-CB 3.8Å; W189-V243 HydrophobicContact CZ2-CG2 4.42Å; W192-V243 HydrophobicContact CD2-CG2 4.5Å; W192-V243 HydrophobicContact CE3-CG2 3.66Å; W192-V243 HydrophobicContact CH2-CG1 4.35Å; W192-V243 HydrophobicContact CH2-CG2 4.37Å; W192-V243 HydrophobicContact CZ3-CB 4.5Å; W192-V243 HydrophobicContact CZ3-CG1 4.09Å; W192-V243 HydrophobicContact CZ3-CG2 3.61Å; L240-V243 WeakPolarHBondContact O-CG1 3.46Å; L240-V243 PolarHBondContact O-N 3.34Å; V243-D245 PolarHBondContact O-N 3.46Å; V243-Y246 WeakPolarHBondContact O-CA 3.17Å; V243-Y246 WeakPolarHBondContact O-CB 3.38Å; V243-Y246 PolarHBondContact O-N 2.67Å; V243-Y246 VanDerWaalsContact O-N 3.11Å; V243-L247 HydrophobicContact CG2-CD1 4.27Å; V243-L247 HydrophobicContact CG2-CG 4.24Å; V243-L247 VanDerWaalsContact O-CG 3.31Å; V243-L247 WeakPolarHBondContact O-CG 3.5Å; V243-L247 PolarHBondContact O-N 3.32Å
244Y98.9Very high98.2Very high0 Ų034.2 Ų34.20%015%0.149CC..Hα-helixtrans-62.8-40.2176.4-65.9-9.8000112.6W192 L214 I215 L240 L241 Y246 L247 V248 E263 F283 P287W192-Y244 HydrophobicContact CH2-CE1 4.37Å; L214-Y244 HydrophobicContact CB-CD1 4.32Å; L214-Y244 HydrophobicContact CB-CE1 4.2Å; L214-Y244 HydrophobicContact CD1-CD1 3.72Å; L214-Y244 HydrophobicContact CD1-CD2 4.28Å; L214-Y244 HydrophobicContact CD1-CE1 4.32Å; L214-Y244 HydrophobicContact CD1-CG 3.71Å; I215-Y244 HydrophobicContact CG2-CE1 3.65Å; I215-Y244 WeakPolarHBondContact CG2-OH 3.38Å; L240-Y244 HydrophobicContact CB-CD2 4.34Å; L240-Y244 HydrophobicContact CB-CE2 3.93Å; L240-Y244 WeakPolarHBondContact O-CB 3.17Å; L240-Y244 VanDerWaalsContact O-CG 3.23Å; L240-Y244 PolarHBondContact O-N 2.53Å; L241-Y244 PolarHBondContact O-N 3Å; Y244-Y246 VanDerWaalsContact C-N 3.27Å; Y244-Y246 PolarHBondContact O-N 3.48Å; Y244-L247 HydrophobicContact CD1-CD1 4.4Å; Y244-L247 PolarHBondContact O-N 3.34Å; Y244-V248 WeakPolarHBondContact O-CB 3.08Å; Y244-V248 VanDerWaalsContact O-CG2 3.31Å; Y244-V248 WeakPolarHBondContact O-CG2 3.34Å; Y244-V248 PolarHBondContact O-N 2.59Å; Y244-E263 VanDerWaalsContact CE2-O 3.24Å; Y244-E263 WeakPolarHBondContact CE2-O 3.33Å; Y244-E263 PolarHBondContact OH-O 2.85Å; Y244-F283 HydrophobicContact CD2-CE1 4.37Å; Y244-F283 HydrophobicContact CD2-CZ 4.22Å; Y244-F283 HydrophobicContact CE2-CE1 4.43Å; Y244-F283 AromaticContact CE2-CZ 3.87Å; Y244-F283 HydrophobicContact CE2-CZ 3.87Å; Y244-P287 HydrophobicContact CD2-CG 3.93Å; Y244-P287 HydrophobicContact CG-CG 4.26Å
245D98.8Very high98.3Very high18 Ų1832.4 Ų32.410%0.09614%0.142CC..Hα-helixtrans-57.2-44.5172.9-78.6-21.6000111.7L241 P242 V243 E249 R285 P287 G288 N290L241-D245 PolarHBondContact O-N 2.93Å; P242-D245 PolarHBondContact O-N 3.09Å; V243-D245 PolarHBondContact O-N 3.46Å; D245-E249 PolarHBondContact O-N 3.26Å; D245-R285 VanDerWaalsContact CG-NH1 3.3Å; D245-R285 IonicContact OD1-CZ 3.29Å; D245-R285 IonicContact OD1-NH1 3.76Å; D245-R285 PolarHBondContact OD1-NH1 2.88Å; D245-R285 IonicContact OD1-NH2 3.91Å; D245-R285 IonicContact OD2-CZ 4Å; D245-R285 VanDerWaalsContact OD2-CZ 3.3Å; D245-R285 IonicContact OD2-NH1 3.3Å; D245-R285 PolarHBondContact OD2-NH1 3.04Å; D245-R285 VanDerWaalsContact OD2-NH1 3.1Å; D245-R285 IonicContact OD2-NH2 2.72Å; D245-R285 PolarHBondContact OD2-NH2 3.15Å; D245-P287 WeakPolarHBondContact OD1-CA 3.31Å; D245-G288 PolarHBondContact OD1-N 3.2Å; D245-N290 PolarHBondContact OD2-ND2 2.99Å
246Y98.8Very high98.2Very high50 Ų5038.9 Ų38.920%0.19617%0.17CC..Hα-helixtrans-61.7-51.6176.3177.1-85.1000110.6W189 N190 P242 V243 Y244 V248 E249 R250W189-Y246 HydrophobicContact CB-CD1 3.97Å; W189-Y246 HydrophobicContact CB-CE1 3.88Å; W189-Y246 HydrophobicContact CB-CG 4.5Å; W189-Y246 HydrophobicContact CE3-CD1 4.3Å; W189-Y246 AromaticContact CE3-CD2 3.94Å; W189-Y246 HydrophobicContact CE3-CD2 3.94Å; W189-Y246 AromaticContact CE3-CG 3.75Å; W189-Y246 HydrophobicContact CE3-CG 3.75Å; W189-Y246 HydrophobicContact CZ3-CG 4.39Å; W189-Y246 WeakPolarHBondContact O-CE1 3.31Å; N190-Y246 PolarHBondContact OD1-OH 2.91Å; P242-Y246 PolarHBondContact O-N 3.23Å; V243-Y246 WeakPolarHBondContact O-CA 3.17Å; V243-Y246 WeakPolarHBondContact O-CB 3.38Å; V243-Y246 PolarHBondContact O-N 2.67Å; V243-Y246 VanDerWaalsContact O-N 3.11Å; Y244-Y246 VanDerWaalsContact C-N 3.27Å; Y244-Y246 PolarHBondContact O-N 3.48Å; Y246-V248 VanDerWaalsContact C-N 3.35Å; Y246-V248 PolarHBondContact O-N 2.6Å; Y246-E249 WeakPolarHBondContact O-CB 3.37Å; Y246-E249 PolarHBondContact O-N 2.72Å; Y246-E249 VanDerWaalsContact O-N 3.11Å; Y246-R250 HydrophobicContact CD1-CG 3.95Å; Y246-R250 HydrophobicContact CE1-CG 3.53Å; Y246-R250 VanDerWaalsContact O-CG 3.29Å; Y246-R250 WeakPolarHBondContact O-CG 3.46Å; Y246-R250 PolarHBondContact O-N 2.91Å
247L98.9Very high98.2Very high0 Ų041.3 Ų41.30%019%0.187CC..Hα-helixtrans-60.3-42.6-179.3-62.3176.7000112.5W192 L214 V243 Y244 E249 R250 I251W192-L247 HydrophobicContact CB-CD2 3.85Å; W192-L247 HydrophobicContact CD2-CD1 3.66Å; W192-L247 HydrophobicContact CD2-CD2 4.05Å; W192-L247 HydrophobicContact CD2-CG 4.41Å; W192-L247 HydrophobicContact CE3-CD1 4.25Å; W192-L247 HydrophobicContact CG-CD1 4.03Å; W192-L247 HydrophobicContact CG-CD2 3.62Å; W192-L247 HydrophobicContact CG-CG 4.44Å; W192-L247 HydrophobicContact CH2-CD1 4.18Å; W192-L247 HydrophobicContact CZ2-CD1 3.55Å; W192-L247 HydrophobicContact CZ3-CD1 4.5Å; L214-L247 HydrophobicContact CD2-CB 4.21Å; L214-L247 HydrophobicContact CD2-CD1 4.34Å; V243-L247 HydrophobicContact CG2-CD1 4.27Å; V243-L247 HydrophobicContact CG2-CG 4.24Å; V243-L247 VanDerWaalsContact O-CG 3.31Å; V243-L247 WeakPolarHBondContact O-CG 3.5Å; V243-L247 PolarHBondContact O-N 3.32Å; Y244-L247 HydrophobicContact CD1-CD1 4.4Å; Y244-L247 PolarHBondContact O-N 3.34Å; L247-E249 VanDerWaalsContact C-N 3.33Å; L247-E249 PolarHBondContact O-N 2.85Å; L247-R250 WeakPolarHBondContact O-CB 3.44Å; L247-R250 PolarHBondContact O-N 2.98Å; L247-R250 VanDerWaalsContact O-N 3.16Å; L247-I251 WeakPolarHBondContact O-CG1 3.34Å; L247-I251 PolarHBondContact O-N 3.12Å
248V98.9Very high98.3Very high8 Ų838.9 Ų38.95%0.04818%0.178CC..Hα-helixtrans-61.4-43.1175.6171.90000110.6L214 Y244 Y246 R250 I251 R252 I260 P287L214-V248 HydrophobicContact CD1-CG2 4.42Å; Y244-V248 WeakPolarHBondContact O-CB 3.08Å; Y244-V248 VanDerWaalsContact O-CG2 3.31Å; Y244-V248 WeakPolarHBondContact O-CG2 3.34Å; Y244-V248 PolarHBondContact O-N 2.59Å; Y246-V248 VanDerWaalsContact C-N 3.35Å; Y246-V248 PolarHBondContact O-N 2.6Å; V248-R250 VanDerWaalsContact C-N 3.3Å; V248-R250 PolarHBondContact O-N 3.29Å; V248-I251 PolarHBondContact O-N 3.1Å; V248-R252 HydrophobicContact CG1-CG 3.9Å; V248-R252 VanDerWaalsContact O-CB 3.28Å; V248-R252 WeakPolarHBondContact O-CB 3.4Å; V248-R252 WeakPolarHBondContact O-CG 3.26Å; V248-R252 PolarHBondContact O-N 3.28Å; V248-I260 HydrophobicContact CG1-CG1 4.49Å; V248-I260 HydrophobicContact CG2-CB 4.34Å; V248-I260 HydrophobicContact CG2-CD1 4.16Å; V248-I260 HydrophobicContact CG2-CG1 3.87Å; V248-I260 HydrophobicContact CG2-CG2 3.74Å; V248-P287 HydrophobicContact CG2-CB 3.77Å
249E98.5Very high98.4Very high71 Ų7132.7 Ų32.733%0.33215%0.154SC..Hα-helixtrans-57.2-43.5174.3179.9174.6-170.500111.9D245 Y246 L247 Q253 R291D245-E249 PolarHBondContact O-N 3.26Å; Y246-E249 WeakPolarHBondContact O-CB 3.37Å; Y246-E249 PolarHBondContact O-N 2.72Å; Y246-E249 VanDerWaalsContact O-N 3.11Å; L247-E249 VanDerWaalsContact C-N 3.33Å; L247-E249 PolarHBondContact O-N 2.85Å; E249-Q253 PolarHBondContact O-N 3.48Å; E249-R291 IonicContact OE1-CZ 2.85Å; E249-R291 VanDerWaalsContact OE1-CZ 3.3Å; E249-R291 IonicContact OE1-NH1 2.93Å; E249-R291 PolarHBondContact OE1-NH1 3.11Å; E249-R291 IonicContact OE1-NH2 3.34Å; E249-R291 IonicContact OE2-CZ 3.16Å; E249-R291 IonicContact OE2-NE 3.87Å; E249-R291 PolarHBondContact OE2-NE 3Å; E249-R291 IonicContact OE2-NH1 3.25Å; E249-R291 PolarHBondContact OE2-NH1 3.08Å; E249-R291 IonicContact OE2-NH2 3.98Å; E249-R291 PolarHBondContact OE2-NH2 2.87Å
250R98.7Very high98.4Very high44 Ų4432.2 Ų32.217%0.16615%0.151CC..Hα-helixtrans-63.7-51.4177-54.4-69.8-73.1121.88.8111.5D194 E197 Y246 L247 V248 R252 Q253D194-R250 IonicContact OD1-NH2 3.53Å; E197-R250 VanDerWaalsContact CD-CZ 3.43Å; E197-R250 HydrophobicContact CG-CB 4.17Å; E197-R250 IonicContact OE1-CZ 3.74Å; E197-R250 IonicContact OE1-NE 3Å; E197-R250 IonicContact OE1-NH1 2.6Å; E197-R250 PolarHBondContact OE1-NH1 2.75Å; E197-R250 IonicContact OE1-NH2 3.52Å; E197-R250 PolarHBondContact OE1-NH2 2.98Å; E197-R250 IonicContact OE2-NH2 3.3Å; E197-R250 PolarHBondContact OE2-NH2 2.92Å; Y246-R250 HydrophobicContact CD1-CG 3.95Å; Y246-R250 HydrophobicContact CE1-CG 3.53Å; Y246-R250 VanDerWaalsContact O-CG 3.29Å; Y246-R250 WeakPolarHBondContact O-CG 3.46Å; Y246-R250 PolarHBondContact O-N 2.91Å; L247-R250 WeakPolarHBondContact O-CB 3.44Å; L247-R250 PolarHBondContact O-N 2.98Å; L247-R250 VanDerWaalsContact O-N 3.16Å; V248-R250 VanDerWaalsContact C-N 3.3Å; V248-R250 PolarHBondContact O-N 3.29Å; R250-R252 VanDerWaalsContact C-N 3.33Å; R250-R252 PolarHBondContact O-N 3.16Å; R250-Q253 WeakPolarHBondContact O-CB 3.49Å; R250-Q253 PolarHBondContact O-N 2.85Å; R250-Q253 VanDerWaalsContact O-N 3.13Å
251I98.9Very high98.5Very high0 Ų032.2 Ų32.20%015%0.151CC..Hα-helixtrans-57.2-47.6178.4-70.5164.7000110.8W196 A200 Y212 L214 L247 V248 Q253 Y254 D255 I260W196-I251 HydrophobicContact CB-CD1 3.94Å; W196-I251 HydrophobicContact CB-CG1 3.64Å; W196-I251 HydrophobicContact CD2-CD1 4.12Å; W196-I251 HydrophobicContact CE3-CD1 4.4Å; W196-I251 HydrophobicContact CG-CD1 3.93Å; W196-I251 HydrophobicContact CG-CG1 4.2Å; A200-I251 HydrophobicContact CB-CG2 4.14Å; Y212-I251 HydrophobicContact CD2-CD1 4.33Å; Y212-I251 HydrophobicContact CD2-CG2 3.83Å; Y212-I251 HydrophobicContact CE2-CG2 3.76Å; L214-I251 HydrophobicContact CD2-CD1 3.69Å; L247-I251 WeakPolarHBondContact O-CG1 3.34Å; L247-I251 PolarHBondContact O-N 3.12Å; V248-I251 PolarHBondContact O-N 3.1Å; I251-Q253 PolarHBondContact O-N 2.94Å; I251-Y254 PolarHBondContact O-N 3.03Å; I251-D255 PolarHBondContact O-N 3.24Å; I251-I260 HydrophobicContact CD1-CD1 3.77Å; I251-I260 HydrophobicContact CG2-CD1 4.08Å
252R98.4Very high98.5Very high27 Ų2731.5 Ų31.510%0.10215%0.148CC..THydrogen-bonded Turntrans-64.8-10-177.1-68-43.9-177.3-159.2-2112.6V248 R250 Y254 D255 K256 S258 K298V248-R252 HydrophobicContact CG1-CG 3.9Å; V248-R252 VanDerWaalsContact O-CB 3.28Å; V248-R252 WeakPolarHBondContact O-CB 3.4Å; V248-R252 WeakPolarHBondContact O-CG 3.26Å; V248-R252 PolarHBondContact O-N 3.28Å; R250-R252 VanDerWaalsContact C-N 3.33Å; R250-R252 PolarHBondContact O-N 3.16Å; R252-Y254 PolarHBondContact O-N 2.99Å; R252-D255 WeakPolarHBondContact CA-O 3.15Å; R252-D255 WeakPolarHBondContact CD-O 3.35Å; R252-D255 PolarHBondContact NH1-O 2.92Å; R252-K256 WeakPolarHBondContact O-CD 3.21Å; R252-K256 WeakPolarHBondContact O-CE 3.41Å; R252-K256 PolarHBondContact O-NZ 3.36Å; R252-S258 VanDerWaalsContact CZ-O 3.24Å; R252-S258 PolarHBondContact NH1-O 2.5Å; R252-S258 PolarHBondContact NH2-O 3.5Å; R252-K298 PolarHBondContact NH2-O 3.2Å
253Q98.2Very high98.5Very high100 Ų10029.3 Ų29.347%0.46713%0.133SC..THydrogen-bonded Turntrans-67.1-26.9169.8-66-177-17.300112.7E197 E249 R250 I251E197-Q253 PolarHBondContact OE1-OE1 2.8Å; E249-Q253 PolarHBondContact O-N 3.48Å; R250-Q253 WeakPolarHBondContact O-CB 3.49Å; R250-Q253 PolarHBondContact O-N 2.85Å; R250-Q253 VanDerWaalsContact O-N 3.13Å; I251-Q253 PolarHBondContact O-N 2.94Å
254Y98.5Very high98.5Very high104 Ų10429.5 Ų29.541%0.40813%0.134SC..THydrogen-bonded Turntrans-119.8-26.5-173.7-54.8-80.2000113.6E197 K201 I251 R252E197-Y254 HydrophobicContact CB-CD2 4.32Å; E197-Y254 HydrophobicContact CB-CE2 4.19Å; E197-Y254 HydrophobicContact CG-CD2 4.03Å; E197-Y254 HydrophobicContact CG-CE2 3.69Å; E197-Y254 VanDerWaalsContact OE1-CE2 3.25Å; E197-Y254 WeakPolarHBondContact OE1-CE2 3.34Å; K201-Y254 HydrophobicContact CD-CD1 4.09Å; K201-Y254 HydrophobicContact CD-CE1 4.08Å; K201-Y254 HydrophobicContact CD-CG 4.32Å; K201-Y254 VanDerWaalsContact CE-CD1 3.42Å; K201-Y254 VanDerWaalsContact CE-CE2 3.43Å; K201-Y254 WeakPolarHBondContact CE-OH 3.36Å; K201-Y254 HydrophobicContact CG-CD1 3.42Å; K201-Y254 VanDerWaalsContact CG-CD1 3.42Å; K201-Y254 HydrophobicContact CG-CD2 4.1Å; K201-Y254 HydrophobicContact CG-CE1 3.94Å; K201-Y254 HydrophobicContact CG-CG 3.51Å; K201-Y254 PolarHBondContact NZ-OH 3.04Å; I251-Y254 PolarHBondContact O-N 3.03Å; R252-Y254 PolarHBondContact O-N 2.99Å
255D98.4Very high98.4Very high5 Ų529.5 Ų29.53%0.02714%0.135CC..  trans-134.6110.1177.8-176.2-10.1000111.8A200 G204 Y212 I251 R252 S257 S258A200-D255 HydrophobicContact CB-CB 4.14Å; G204-D255 VanDerWaalsContact CA-OD2 3.24Å; G204-D255 WeakPolarHBondContact CA-OD2 3.41Å; Y212-D255 HydrophobicContact CE2-CB 4.38Å; Y212-D255 WeakPolarHBondContact CE2-OD2 3.45Å; Y212-D255 PolarHBondContact OH-OD2 3.33Å; I251-D255 PolarHBondContact O-N 3.24Å; R252-D255 WeakPolarHBondContact CA-O 3.15Å; R252-D255 WeakPolarHBondContact CD-O 3.35Å; R252-D255 PolarHBondContact NH1-O 2.92Å; D255-S257 PolarHBondContact OD1-N 3.44Å; D255-S257 PolarHBondContact OD1-OG 3.14Å; D255-S258 PolarHBondContact OD1-N 2.72Å; D255-S258 PolarHBondContact OD1-OG 3.02Å; D255-S258 WeakPolarHBondContact OD2-CB 3.1Å; D255-S258 PolarHBondContact OD2-OG 2.71Å
256K96.9Very high98.1Very high135 Ų13530.3 Ų30.359%0.58714%0.14SC*.SBendtrans-88.1-4.5-177.1-60.5-66.2-175.7-174.60114.3R252 K298R252-K256 WeakPolarHBondContact O-CD 3.21Å; R252-K256 WeakPolarHBondContact O-CE 3.41Å; R252-K256 PolarHBondContact O-NZ 3.36Å; K256-K298 WeakPolarHBondContact O-CD 3.45Å; K256-K298 PolarHBondContact O-NZ 3.4Å
257S96.4Very high97.9Very high51 Ų5132.3 Ų32.336%0.35715%0.148SC..SBendtrans-129.1-40.1-16066.10000115.3K27 D255K27-S257 WeakPolarHBondContact CE-OG 3.49Å; D255-S257 PolarHBondContact OD1-N 3.44Å; D255-S257 PolarHBondContact OD1-OG 3.14Å
258S98.4Very high97.7Very high0 Ų032.3 Ų32.30%015%0.148CC..SBendtrans-59.7147.2-179.7-54.50000111K27 R252 D255K27-S258 VanDerWaalsContact CE-OG 3.3Å; K27-S258 WeakPolarHBondContact CE-OG 3.16Å; K27-S258 PolarHBondContact NZ-OG 2.84Å; R252-S258 VanDerWaalsContact CZ-O 3.24Å; R252-S258 PolarHBondContact NH1-O 2.5Å; R252-S258 PolarHBondContact NH2-O 3.5Å; D255-S258 PolarHBondContact OD1-N 2.72Å; D255-S258 PolarHBondContact OD1-OG 3.02Å; D255-S258 WeakPolarHBondContact OD2-CB 3.1Å; D255-S258 PolarHBondContact OD2-OG 2.71Å
259L98.8Very high97.5Very high0 Ų032 Ų320%015%0.146CC..EExtended strand (participates in β ladder)trans-68.4147.7-177.8-55.6177.3000110.7I28 L30 F36 L210 G211 Y212 F261 K298 V300I28-L259 HydrophobicContact CG2-CD1 4.35Å; L30-L259 HydrophobicContact CD1-CD2 4.39Å; L30-L259 HydrophobicContact CD2-CD1 4.47Å; L30-L259 HydrophobicContact CG-CD2 4.05Å; F36-L259 HydrophobicContact CD1-CD1 3.69Å; F36-L259 HydrophobicContact CE1-CD1 3.59Å; L210-L259 HydrophobicContact CD1-CD1 3.7Å; L210-L259 HydrophobicContact CG-CD1 4.13Å; L210-L259 VanDerWaalsContact O-CB 3.27Å; L210-L259 WeakPolarHBondContact O-CB 3.26Å; L210-L259 VanDerWaalsContact O-CG 3.3Å; L210-L259 WeakPolarHBondContact O-CG 3.4Å; L210-L259 PolarHBondContact O-N 2.85Å; G211-L259 CarbonylContact C-O 3.16Å; G211-L259 WeakPolarHBondContact CA-O 3.39Å; Y212-L259 PolarHBondContact N-O 3.01Å; L259-F261 HydrophobicContact CB-CD2 4.24Å; L259-F261 HydrophobicContact CB-CE2 3.84Å; L259-F261 HydrophobicContact CD1-CE2 4.33Å; L259-K298 CarbonylContact C-O 3.48Å; L259-K298 WeakPolarHBondContact CA-O 3.3Å; L259-K298 HydrophobicContact CD2-CB 4.47Å; L259-V300 HydrophobicContact CB-CG2 4.14Å; L259-V300 HydrophobicContact CD1-CG2 3.86Å; L259-V300 HydrophobicContact CG-CG2 4.45Å
260I98.9Very high97.3Very high0 Ų030.9 Ų30.90%014%0.14CC..EExtended strand (participates in β ladder)trans-99.2115.7167.9-59.6-62.5000107.5Y212 L214 V248 I251 K298 S299 V300Y212-I260 HydrophobicContact CD2-CD1 4.11Å; L214-I260 HydrophobicContact CD1-CG2 3.71Å; L214-I260 HydrophobicContact CD2-CG2 4.24Å; L214-I260 HydrophobicContact CG-CG2 3.89Å; V248-I260 HydrophobicContact CG1-CG1 4.49Å; V248-I260 HydrophobicContact CG2-CB 4.34Å; V248-I260 HydrophobicContact CG2-CD1 4.16Å; V248-I260 HydrophobicContact CG2-CG1 3.87Å; V248-I260 HydrophobicContact CG2-CG2 3.74Å; I251-I260 HydrophobicContact CD1-CD1 3.77Å; I251-I260 HydrophobicContact CG2-CD1 4.08Å; I260-K298 PolarHBondContact N-O 3.33Å; I260-S299 CarbonylContact O-C 3.55Å; I260-S299 VanDerWaalsContact O-CA 3.32Å; I260-S299 WeakPolarHBondContact O-CA 3.2Å; I260-V300 PolarHBondContact O-N 3.04Å
261F98.9Very high96.9Very high0 Ų030.7 Ų30.70%014%0.144CC..EExtended strand (participates in β ladder)trans-89.2121.7169.2-73.5-107.5000107.3F36 I119 L210 Y212 D213 L214 L259 V300 F351 T353F36-F261 HydrophobicContact CE1-CZ 4.5Å; I119-F261 HydrophobicContact CD1-CD1 4.38Å; I119-F261 HydrophobicContact CD1-CE1 3.65Å; I119-F261 HydrophobicContact CD1-CE2 4.41Å; I119-F261 HydrophobicContact CD1-CZ 3.68Å; I119-F261 HydrophobicContact CG1-CE1 4.24Å; I119-F261 HydrophobicContact CG1-CE2 4.11Å; I119-F261 HydrophobicContact CG1-CZ 3.83Å; I119-F261 HydrophobicContact CG2-CD1 4.38Å; I119-F261 HydrophobicContact CG2-CD2 4.07Å; I119-F261 HydrophobicContact CG2-CE2 4.24Å; I119-F261 HydrophobicContact CG2-CG 4.15Å; I119-F261 HydrophobicContact CG2-CZ 4.47Å; L210-F261 HydrophobicContact CD2-CZ 4Å; L210-F261 HydrophobicContact CG-CE2 4.17Å; L210-F261 HydrophobicContact CG-CZ 4.09Å; Y212-F261 WeakPolarHBondContact O-CB 3.36Å; Y212-F261 PolarHBondContact O-N 3Å; D213-F261 HydrophobicContact CB-CB 3.94Å; L214-F261 WeakPolarHBondContact CG-O 3.46Å; L214-F261 PolarHBondContact N-O 3.33Å; L259-F261 HydrophobicContact CB-CD2 4.24Å; L259-F261 HydrophobicContact CB-CE2 3.84Å; L259-F261 HydrophobicContact CD1-CE2 4.33Å; F261-V300 WeakPolarHBondContact CA-O 3.14Å; F261-V300 HydrophobicContact CD1-CB 3.9Å; F261-V300 HydrophobicContact CD1-CG1 3.75Å; F261-V300 HydrophobicContact CD2-CB 4.45Å; F261-V300 HydrophobicContact CE1-CB 3.97Å; F261-V300 HydrophobicContact CE1-CG1 3.59Å; F261-V300 HydrophobicContact CE1-CG2 4.34Å; F261-V300 HydrophobicContact CE2-CB 4.5Å; F261-V300 HydrophobicContact CE2-CG2 4.33Å; F261-V300 HydrophobicContact CG-CB 4.15Å; F261-V300 HydrophobicContact CG-CG1 4.48Å; F261-V300 HydrophobicContact CZ-CB 4.26Å; F261-V300 HydrophobicContact CZ-CG1 4.2Å; F261-V300 HydrophobicContact CZ-CG2 4.16Å; F261-F351 HydrophobicContact CD1-CB 4.34Å; F261-F351 HydrophobicContact CE1-CB 3.73Å; F261-F351 AromaticContact CE1-CD2 3.77Å; F261-F351 HydrophobicContact CE1-CD2 3.77Å; F261-F351 AromaticContact CE1-CG 3.8Å; F261-F351 HydrophobicContact CE1-CG 3.8Å; F261-F351 HydrophobicContact CZ-CD2 4.16Å; F261-T353 HydrophobicContact CD1-CG2 3.95Å; F261-T353 HydrophobicContact CE1-CG2 4.25Å
262Y98.8Very high96.4Very high0 Ų033.7 Ų33.70%016%0.164CC..EExtended strand (participates in β ladder)trans-127130.5-178.165.2-84.3000109.9F283 V286 P287 V300 L301 S302 T346Y262-F283 AromaticContact CD2-CD2 3.92Å; Y262-F283 HydrophobicContact CD2-CD2 3.92Å; Y262-F283 AromaticContact CD2-CE2 3.8Å; Y262-F283 HydrophobicContact CD2-CE2 3.8Å; Y262-F283 HydrophobicContact CD2-CZ 4.41Å; Y262-F283 AromaticContact CE2-CD2 3.73Å; Y262-F283 HydrophobicContact CE2-CD2 3.73Å; Y262-F283 HydrophobicContact CE2-CE2 4.09Å; Y262-F283 HydrophobicContact CE2-CG 4.36Å; Y262-V286 HydrophobicContact CE1-CB 4.17Å; Y262-V286 HydrophobicContact CE1-CG1 4.01Å; Y262-P287 HydrophobicContact CD1-CG 4.23Å; Y262-P287 HydrophobicContact CD2-CG 4.16Å; Y262-P287 HydrophobicContact CG-CG 3.83Å; Y262-V300 WeakPolarHBondContact CD1-O 3.18Å; Y262-V300 WeakPolarHBondContact CE1-O 3.34Å; Y262-V300 PolarHBondContact N-O 2.98Å; Y262-L301 HydrophobicContact CD2-CD1 4.18Å; Y262-L301 HydrophobicContact CE2-CB 4.31Å; Y262-L301 HydrophobicContact CE2-CD1 3.72Å; Y262-S302 PolarHBondContact O-N 3.47Å; Y262-T346 PolarHBondContact OH-OG1 3.03Å
263E98.6Very high95.6Very high2 Ų235.2 Ų35.21%0.00917%0.173CC..PPolyproline II helixtrans-102.9138.8-177.6-68.3-174.1-150.500111.4R81 E217 P218 Y244 S302 H304R81-E263 IonicContact NH2-OE1 3.52Å; R81-E263 PolarHBondContact NH2-OE1 3.02Å; E217-E263 PolarHBondContact N-OE2 3.08Å; P218-E263 HydrophobicContact CG-CB 3.95Å; Y244-E263 VanDerWaalsContact CE2-O 3.24Å; Y244-E263 WeakPolarHBondContact CE2-O 3.33Å; Y244-E263 PolarHBondContact OH-O 2.85Å; E263-S302 VanDerWaalsContact CG-CB 3.41Å; E263-S302 WeakPolarHBondContact CG-OG 3.47Å; E263-S302 PolarHBondContact OE1-OG 2.9Å; E263-H304 IonicContact OE1-NE2 3.16Å; E263-H304 IonicContact OE2-CE1 3.3Å; E263-H304 IonicContact OE2-NE2 2.91Å
264P97.9Very high94.8Very high4 Ų432 Ų323%0.02616%0.162CC..PPolyproline II helixtrans-71.1173.3162.335.3-33000109.3P218 T266 I269 T281 F283 L301 S302P218-P264 WeakPolarHBondContact CD-O 3.28Å; P218-P264 WeakPolarHBondContact CG-O 3.4Å; P264-T266 PolarHBondContact O-N 3.21Å; P264-I269 HydrophobicContact CG-CG2 3.93Å; P264-T281 HydrophobicContact CB-CG2 3.89Å; P264-T281 HydrophobicContact CG-CG2 4.06Å; P264-F283 HydrophobicContact CB-CE2 3.93Å; P264-L301 HydrophobicContact CG-CD1 4.45Å; P264-S302 WeakPolarHBondContact CD-O 3.36Å
265V97.1Very high93.9Very high1 Ų133.7 Ų33.71%0.00618%0.183CC..PPolyproline II helixtrans-49.3133.6160.8178.80000108.3P218 P220 P232 A235 L240 Y267 G268P218-V265 WeakPolarHBondContact O-CA 3.35Å; P220-V265 HydrophobicContact CB-CG1 4.13Å; P220-V265 HydrophobicContact CB-CG2 4.38Å; P232-V265 HydrophobicContact CB-CB 4.08Å; P232-V265 HydrophobicContact CB-CG1 4.45Å; A235-V265 HydrophobicContact CB-CG2 3.61Å; L240-V265 HydrophobicContact CD1-CG2 3.88Å; V265-Y267 HydrophobicContact CG1-CD1 3.76Å; V265-Y267 HydrophobicContact CG1-CE1 3.31Å; V265-Y267 HydrophobicContact CG1-CE2 4.33Å; V265-Y267 HydrophobicContact CG1-CG 4.41Å; V265-Y267 PolarHBondContact O-N 3.44Å; V265-G268 WeakPolarHBondContact O-CA 3.45Å; V265-G268 PolarHBondContact O-N 3.4Å
266T92.9Very high93.1Very high34 Ų3436.4 Ų36.421%0.20920%0.202CC..G310 helixtrans-47-44.6-165.5-45.90000113.4E217 P264 G268E217-T266 WeakPolarHBondContact CA-OG1 3.2Å; E217-T266 HydrophobicContact CB-CG2 4.44Å; E217-T266 WeakPolarHBondContact CB-OG1 3.31Å; E217-T266 HydrophobicContact CG-CG2 3.97Å; P264-T266 PolarHBondContact O-N 3.21Å; T266-G268 VanDerWaalsContact C-N 3.3Å; T266-G268 PolarHBondContact O-N 3.38Å
267Y93.9Very high92.6Very high93 Ų9330 Ų3037%0.36518%0.175SC..G310 helixtrans-84.14.4-179.559.3-91.7000114.9P220 G230 P232 V265 I269 F270P220-Y267 HydrophobicContact CG-CE1 4.38Å; G230-Y267 WeakPolarHBondContact O-CE2 3.49Å; G230-Y267 PolarHBondContact O-OH 3.37Å; P232-Y267 HydrophobicContact CB-CD2 4.04Å; P232-Y267 HydrophobicContact CB-CE2 3.82Å; P232-Y267 HydrophobicContact CG-CD2 4.05Å; P232-Y267 HydrophobicContact CG-CE2 3.94Å; V265-Y267 HydrophobicContact CG1-CD1 3.76Å; V265-Y267 HydrophobicContact CG1-CE1 3.31Å; V265-Y267 HydrophobicContact CG1-CE2 4.33Å; V265-Y267 HydrophobicContact CG1-CG 4.41Å; V265-Y267 PolarHBondContact O-N 3.44Å; Y267-I269 PolarHBondContact O-N 3.07Å; Y267-F270 PolarHBondContact O-N 2.99Å
268G95.5Very high92.2Very high0 Ų033.6 Ų33.60%018%0.181CC..G310 helixtrans-68.3-18.8-176.900000114.8V265 T266 G280V265-G268 WeakPolarHBondContact O-CA 3.45Å; V265-G268 PolarHBondContact O-N 3.4Å; T266-G268 VanDerWaalsContact C-N 3.3Å; T266-G268 PolarHBondContact O-N 3.38Å; G268-G280 CarbonylContact O-C 3.6Å; G268-G280 WeakPolarHBondContact O-CA 3.48Å
269I94.9Very high92Very high2 Ų236.5 Ų36.51%0.0120%0.196CC..G310 helixtrans-83.1-16.8177.262.9175.8000113.7P264 Y267 T271 Y303 H304 V335 N338 V339P264-I269 HydrophobicContact CG-CG2 3.93Å; Y267-I269 PolarHBondContact O-N 3.07Å; I269-T271 PolarHBondContact O-N 3.27Å; I269-Y303 HydrophobicContact CD1-CD2 3.78Å; I269-Y303 HydrophobicContact CD1-CG 4.43Å; I269-H304 WeakPolarHBondContact CD1-O 3.3Å; I269-V335 HydrophobicContact CB-CG1 4.15Å; I269-V335 HydrophobicContact CD1-CG1 3.42Å; I269-V335 VanDerWaalsContact CD1-CG1 3.42Å; I269-V335 HydrophobicContact CG1-CG1 3.87Å; I269-V335 HydrophobicContact CG1-CG2 4.32Å; I269-N338 VanDerWaalsContact O-CB 3.26Å; I269-N338 WeakPolarHBondContact O-CB 3.28Å; I269-N338 PolarHBondContact O-ND2 2.94Å; I269-V339 HydrophobicContact CB-CG2 4.08Å; I269-V339 HydrophobicContact CG2-CG2 3.83Å
270F94.1Very high91.9Very high46 Ų4636.5 Ų36.520%0.20220%0.197CC..SBendtrans-75.5-12.9-179.9-71.1-88.7000113.1Y267 Y305 L331 V335Y267-F270 PolarHBondContact O-N 2.99Å; F270-Y305 HydrophobicContact CE1-CE2 4.32Å; F270-L331 HydrophobicContact CD1-CD2 4.3Å; F270-V335 HydrophobicContact CD1-CG2 3.57Å; F270-V335 HydrophobicContact CE1-CG2 3.74Å; F270-V335 HydrophobicContact CG-CG2 4.02Å; F270-V335 HydrophobicContact CZ-CG2 4.31Å
271T91.2Very high91.8Very high40 Ų4036.7 Ų36.725%0.24520%0.198CC..SBendtrans-120143.8179.161.70000110.7I269 L279 G280 N338I269-T271 PolarHBondContact O-N 3.27Å; T271-L279 HydrophobicContact CG2-CD2 4.37Å; T271-G280 WeakPolarHBondContact O-CA 3.32Å; T271-G280 PolarHBondContact OG1-N 2.98Å; T271-N338 VanDerWaalsContact C-ND2 3.31Å; T271-N338 PolarHBondContact O-ND2 3.13Å
272P86.6Confident91.6Very high64 Ų6436.8 Ų36.842%0.41620%0.199SC..  trans-68.5153.4179.429-34.9000111S274 L279 G280 N338P272-S274 PolarHBondContact O-N 2.82Å; P272-L279 CarbonylContact O-C 3.53Å; P272-L279 WeakPolarHBondContact O-CB 3.38Å; P272-G280 PolarHBondContact O-N 3.48Å; P272-N338 WeakPolarHBondContact CA-OD1 3.31Å
273L82.8Confident91.4Very high59 Ų5936.9 Ų36.931%0.30920%0.199SC..  trans-54.9128.4166.3-75.1178.9000109.9A342 T345L273-A342 HydrophobicContact CD1-CB 4.19Å; L273-T345 HydrophobicContact CD1-CG2 4.27Å
274S81Confident91.2Very high31 Ų3144 Ų4422%0.21723%0.226CC..  trans-109.3151.2-179.658.50000111.4P272 S276 G277 W278 L279P272-S274 PolarHBondContact O-N 2.82Å; S274-S276 VanDerWaalsContact C-N 3.31Å; S274-S276 PolarHBondContact O-N 2.87Å; S274-S276 PolarHBondContact OG-OG 2.66Å; S274-G277 WeakPolarHBondContact O-CA 3.33Å; S274-G277 PolarHBondContact O-N 3.22Å; S274-G277 PolarHBondContact OG-N 3.03Å; S274-W278 PolarHBondContact OG-N 3.25Å; S274-L279 PolarHBondContact OG-N 3.44Å; S274-L279 PolarHBondContact OG-O 2.91Å
275T79.6Confident91.1Very high141 Ų14147 Ų4787%0.86524%0.237SC*.SBendtrans-64-37.2173.749.10000111.9G277 R284T275-G277 PolarHBondContact O-N 2.88Å; T275-R284 PolarHBondContact O-NH2 3.2Å
276S82.5Confident91.2Very high61 Ų6147 Ų4743%0.42724%0.237SC..SBendtrans-59.6-30.7171.263.30000111.9S274 W278S274-S276 VanDerWaalsContact C-N 3.31Å; S274-S276 PolarHBondContact O-N 2.87Å; S274-S276 PolarHBondContact OG-OG 2.66Å; S276-W278 VanDerWaalsContact C-N 3.32Å; S276-W278 PolarHBondContact OG-N 2.98Å
277G84.8Confident91.5Very high2 Ų245.4 Ų45.42%0.02123%0.227CC..SBendtrans78.315.1-178.800000114G233 Y234 S274 T275G233-G277 CarbonylContact C-O 3.53Å; Y234-G277 PolarHBondContact N-O 3.32Å; S274-G277 WeakPolarHBondContact O-CA 3.33Å; S274-G277 PolarHBondContact O-N 3.22Å; S274-G277 PolarHBondContact OG-N 3.03Å; T275-G277 PolarHBondContact O-N 2.88Å
278W89.8Confident91.7Very high125 Ų12541.3 Ų41.347%0.47321%0.213SC..SBendtrans-85.6-31.6175-58.8-17.1000111.6F231 G233 Y234 S274 S276F231-W278 CarbonylContact C-O 3.25Å; F231-W278 HydrophobicContact CB-CB 4.15Å; F231-W278 VanDerWaalsContact CB-O 3.28Å; F231-W278 WeakPolarHBondContact CB-O 3.31Å; F231-W278 HydrophobicContact CG-CB 4.35Å; G233-W278 WeakPolarHBondContact CA-O 3.42Å; G233-W278 PolarHBondContact N-O 3.33Å; Y234-W278 PolarHBondContact N-O 3.44Å; S274-W278 PolarHBondContact OG-N 3.25Å; S276-W278 VanDerWaalsContact C-N 3.32Å; S276-W278 PolarHBondContact OG-N 2.98Å
279L94Very high91.8Very high61 Ų6142.4 Ų42.432%0.31922%0.222SC..SBendtrans-99.1164.2176.6-56.7-178.3000113F231 T271 P272 S274F231-L279 HydrophobicContact CD1-CD2 4.19Å; T271-L279 HydrophobicContact CG2-CD2 4.37Å; P272-L279 CarbonylContact O-C 3.53Å; P272-L279 WeakPolarHBondContact O-CB 3.38Å; S274-L279 PolarHBondContact OG-N 3.44Å; S274-L279 PolarHBondContact OG-O 2.91Å
280G95.6Very high91.9Very high1 Ų146.4 Ų46.41%0.0124%0.244CC..SBendtrans78.6-160.4-176.200000112.9P232 G233 G268 T271 P272 G282P232-G280 CarbonylContact C-O 3.57Å; G233-G280 VanDerWaalsContact CA-O 3.25Å; G233-G280 WeakPolarHBondContact CA-O 3.22Å; G233-G280 PolarHBondContact N-O 2.99Å; G268-G280 CarbonylContact O-C 3.6Å; G268-G280 WeakPolarHBondContact O-CA 3.48Å; T271-G280 WeakPolarHBondContact O-CA 3.32Å; T271-G280 PolarHBondContact OG1-N 2.98Å; P272-G280 PolarHBondContact O-N 3.48Å; G280-G282 VanDerWaalsContact C-N 3.27Å; G280-G282 PolarHBondContact O-N 3.04Å
281T96.5Very high92Very high4 Ų452.4 Ų52.43%0.02527%0.265CS..  trans-70.6-18.9-177.363.60000114.2P264 F283 L301 A342P264-T281 HydrophobicContact CB-CG2 3.89Å; P264-T281 HydrophobicContact CG-CG2 4.06Å; T281-F283 PolarHBondContact O-N 2.91Å; T281-F283 PolarHBondContact OG1-N 2.88Å; T281-L301 HydrophobicContact CG2-CD1 4.43Å; T281-L301 HydrophobicContact CG2-CD2 4.38Å; T281-A342 HydrophobicContact CG2-CB 3.99Å
282G95.2Very high92.2Very high2 Ų253.4 Ų53.42%0.02127%0.268CS..  trans80.1-16.6-176.400000115G233 G280G233-G282 VanDerWaalsContact CA-CA 3.47Å; G233-G282 WeakPolarHBondContact O-CA 3.26Å; G280-G282 VanDerWaalsContact C-N 3.27Å; G280-G282 PolarHBondContact O-N 3.04Å
283F95.7Very high92.7Very high1 Ų160 Ų600%0.00429%0.29CS..  trans-78.9130.1-179.6-51.8-49000111.8G236 L240 L241 Y244 Y262 P264 T281 T346G236-F283 VanDerWaalsContact O-CE1 3.29Å; G236-F283 WeakPolarHBondContact O-CE1 3.48Å; L240-F283 HydrophobicContact CB-CE1 4.11Å; L240-F283 HydrophobicContact CB-CZ 4.14Å; L240-F283 HydrophobicContact CD1-CZ 4.32Å; L241-F283 HydrophobicContact CB-CD1 3.96Å; L241-F283 HydrophobicContact CB-CE1 3.98Å; L241-F283 HydrophobicContact CD1-CD1 4.05Å; L241-F283 HydrophobicContact CD1-CE1 4.47Å; L241-F283 HydrophobicContact CG-CD1 4.4Å; Y244-F283 HydrophobicContact CD2-CE1 4.37Å; Y244-F283 HydrophobicContact CD2-CZ 4.22Å; Y244-F283 HydrophobicContact CE2-CE1 4.43Å; Y244-F283 AromaticContact CE2-CZ 3.87Å; Y244-F283 HydrophobicContact CE2-CZ 3.87Å; Y262-F283 AromaticContact CD2-CD2 3.92Å; Y262-F283 HydrophobicContact CD2-CD2 3.92Å; Y262-F283 AromaticContact CD2-CE2 3.8Å; Y262-F283 HydrophobicContact CD2-CE2 3.8Å; Y262-F283 HydrophobicContact CD2-CZ 4.41Å; Y262-F283 AromaticContact CE2-CD2 3.73Å; Y262-F283 HydrophobicContact CE2-CD2 3.73Å; Y262-F283 HydrophobicContact CE2-CE2 4.09Å; Y262-F283 HydrophobicContact CE2-CG 4.36Å; P264-F283 HydrophobicContact CB-CE2 3.93Å; T281-F283 PolarHBondContact O-N 2.91Å; T281-F283 PolarHBondContact OG1-N 2.88Å; F283-T346 HydrophobicContact CB-CG2 3.76Å
284R94Very high93.3Very high152 Ų15259.3 Ų59.357%0.57429%0.291SS*.SBendtrans-109.70.2172.2-68.3-171.8173.9-179.1-0.4113.3T275T275-R284 PolarHBondContact O-NH2 3.2Å
285R96.3Very high94.1Very high68 Ų6858.2 Ų58.226%0.25728%0.283SS..SBendtrans-161159.9177.157.7173.8174.877.1-0.2107.2D245 A289D245-R285 VanDerWaalsContact CG-NH1 3.3Å; D245-R285 IonicContact OD1-CZ 3.29Å; D245-R285 IonicContact OD1-NH1 3.76Å; D245-R285 PolarHBondContact OD1-NH1 2.88Å; D245-R285 IonicContact OD1-NH2 3.91Å; D245-R285 IonicContact OD2-CZ 4Å; D245-R285 VanDerWaalsContact OD2-CZ 3.3Å; D245-R285 IonicContact OD2-NH1 3.3Å; D245-R285 PolarHBondContact OD2-NH1 3.04Å; D245-R285 VanDerWaalsContact OD2-NH1 3.1Å; D245-R285 IonicContact OD2-NH2 2.72Å; D245-R285 PolarHBondContact OD2-NH2 3.15Å; R285-A289 HydrophobicContact CB-CB 4.08Å; R285-A289 HydrophobicContact CG-CB 4.47Å
286V98.5Very high95Very high0 Ų053.2 Ų53.20%025%0.253CS..  trans-67.7155.6168.5-53.50000110.8Y262 A289 A295 P296 G347Y262-V286 HydrophobicContact CE1-CB 4.17Å; Y262-V286 HydrophobicContact CE1-CG1 4.01Å; V286-A289 HydrophobicContact CG2-CB 3.82Å; V286-A289 VanDerWaalsContact O-CB 3.31Å; V286-A289 WeakPolarHBondContact O-CB 3.27Å; V286-A289 PolarHBondContact O-N 2.93Å; V286-A295 HydrophobicContact CG2-CB 3.72Å; V286-P296 HydrophobicContact CG2-CB 4.45Å; V286-P296 HydrophobicContact CG2-CG 3.96Å; V286-G347 WeakPolarHBondContact CG1-O 3.25Å
287P98.6Very high95.7Very high0 Ų052.3 Ų52.30%025%0.247CC..THydrogen-bonded Turntrans-54.2140.6170-27.937.7000112.6L241 Y244 D245 V248 Y262 A289L241-P287 HydrophobicContact CD1-CG 4.28Å; Y244-P287 HydrophobicContact CD2-CG 3.93Å; Y244-P287 HydrophobicContact CG-CG 4.26Å; D245-P287 WeakPolarHBondContact OD1-CA 3.31Å; V248-P287 HydrophobicContact CG2-CB 3.77Å; Y262-P287 HydrophobicContact CD1-CG 4.23Å; Y262-P287 HydrophobicContact CD2-CG 4.16Å; Y262-P287 HydrophobicContact CG-CG 3.83Å; P287-A289 PolarHBondContact O-N 3.29Å
288G98.2Very high96.3Very high7 Ų754.4 Ų54.47%0.07226%0.256CS..THydrogen-bonded Turntrans79.1-10.4-178.600000115.7D245 N290 R291 D292D245-G288 PolarHBondContact OD1-N 3.2Å; G288-N290 PolarHBondContact O-N 3.31Å; G288-N290 VanDerWaalsContact O-N 3.12Å; G288-N290 PolarHBondContact O-OD1 3.24Å; G288-R291 PolarHBondContact O-N 3.23Å; G288-D292 PolarHBondContact O-N 2.66Å
289A97.9Very high96.7Very high24 Ų2448.5 Ų48.520%0.19823%0.234CC..THydrogen-bonded Turntrans-66.4-14-178.600000114.7R285 V286 P287 R291 D292 A295R285-A289 HydrophobicContact CB-CB 4.08Å; R285-A289 HydrophobicContact CG-CB 4.47Å; V286-A289 HydrophobicContact CG2-CB 3.82Å; V286-A289 VanDerWaalsContact O-CB 3.31Å; V286-A289 WeakPolarHBondContact O-CB 3.27Å; V286-A289 PolarHBondContact O-N 2.93Å; P287-A289 PolarHBondContact O-N 3.29Å; A289-R291 PolarHBondContact O-N 3.06Å; A289-D292 WeakPolarHBondContact CA-O 3.36Å; A289-A295 HydrophobicContact CB-CB 4.12Å
290N96Very high97Very high86 Ų8645.6 Ų45.646%0.4622%0.218SC..THydrogen-bonded Turntrans-68.6-21169.358.1-10.2000113.2D245 G288D245-N290 PolarHBondContact OD2-ND2 2.99Å; G288-N290 PolarHBondContact O-N 3.31Å; G288-N290 VanDerWaalsContact O-N 3.12Å; G288-N290 PolarHBondContact O-OD1 3.24Å
291R96.2Very high97.1Very high172 Ų17245.6 Ų45.665%0.64922%0.218SC*.THydrogen-bonded Turntrans-117.2-33.8-178.2-65.6179.8-179.2-13216.3113E249 G288 A289E249-R291 IonicContact OE1-CZ 2.85Å; E249-R291 VanDerWaalsContact OE1-CZ 3.3Å; E249-R291 IonicContact OE1-NH1 2.93Å; E249-R291 PolarHBondContact OE1-NH1 3.11Å; E249-R291 IonicContact OE1-NH2 3.34Å; E249-R291 IonicContact OE2-CZ 3.16Å; E249-R291 IonicContact OE2-NE 3.87Å; E249-R291 PolarHBondContact OE2-NE 3Å; E249-R291 IonicContact OE2-NH1 3.25Å; E249-R291 PolarHBondContact OE2-NH1 3.08Å; E249-R291 IonicContact OE2-NH2 3.98Å; E249-R291 PolarHBondContact OE2-NH2 2.87Å; G288-R291 PolarHBondContact O-N 3.23Å; A289-R291 PolarHBondContact O-N 3.06Å
292D97.1Very high97.2Very high60 Ų6045.4 Ų45.432%0.32122%0.217SC..  trans-123106179-178.61.1000110.4G288 A289 S294 A295G288-D292 PolarHBondContact O-N 2.66Å; A289-D292 WeakPolarHBondContact CA-O 3.36Å; D292-S294 VanDerWaalsContact CG-OG 3.23Å; D292-S294 PolarHBondContact O-N 2.96Å; D292-S294 VanDerWaalsContact O-N 3.12Å; D292-S294 WeakPolarHBondContact OD1-CA 3.17Å; D292-S294 WeakPolarHBondContact OD1-CB 3.35Å; D292-S294 PolarHBondContact OD1-N 3.09Å; D292-S294 PolarHBondContact OD1-OG 3.12Å; D292-S294 PolarHBondContact OD2-OG 3.34Å; D292-S294 VanDerWaalsContact OD2-OG 3.11Å; D292-A295 HydrophobicContact CB-CB 4.45Å; D292-A295 WeakPolarHBondContact O-CB 3.49Å; D292-A295 PolarHBondContact O-N 3.16Å
293K95.9Very high97.4Very high202 Ų20245.6 Ų45.688%0.87822%0.217SC*.THydrogen-bonded Turntrans-62.7-18.4178-67.7-176.9179.1179.10113.3A295 P296K293-A295 VanDerWaalsContact C-N 3.34Å; K293-P296 WeakPolarHBondContact O-CD 3.26Å
294S96.2Very high97.5Very high46 Ų4645.9 Ų45.932%0.32222%0.218SC..THydrogen-bonded Turntrans-84.9-4.6174.777.60000113.5D292 P296 S297D292-S294 VanDerWaalsContact CG-OG 3.23Å; D292-S294 PolarHBondContact O-N 2.96Å; D292-S294 VanDerWaalsContact O-N 3.12Å; D292-S294 WeakPolarHBondContact OD1-CA 3.17Å; D292-S294 WeakPolarHBondContact OD1-CB 3.35Å; D292-S294 PolarHBondContact OD1-N 3.09Å; D292-S294 PolarHBondContact OD1-OG 3.12Å; D292-S294 PolarHBondContact OD2-OG 3.34Å; D292-S294 VanDerWaalsContact OD2-OG 3.11Å; S294-P296 VanDerWaalsContact C-N 3.27Å; S294-P296 VanDerWaalsContact O-N 3.12Å; S294-S297 PolarHBondContact O-N 2.92Å; S294-S297 PolarHBondContact O-OG 3.29Å
295A98Very high97.6Very high7 Ų738.8 Ų38.86%0.05819%0.192CC..G310 helixtrans-50.9-36.5-179.400000114.7V286 A289 D292 K293 S297 K298 S299V286-A295 HydrophobicContact CG2-CB 3.72Å; A289-A295 HydrophobicContact CB-CB 4.12Å; D292-A295 HydrophobicContact CB-CB 4.45Å; D292-A295 WeakPolarHBondContact O-CB 3.49Å; D292-A295 PolarHBondContact O-N 3.16Å; K293-A295 VanDerWaalsContact C-N 3.34Å; A295-S297 VanDerWaalsContact C-N 3.28Å; A295-S297 PolarHBondContact O-N 2.76Å; A295-K298 CarbonylContact O-C 3.11Å; A295-K298 PolarHBondContact O-N 2.83Å; A295-S299 WeakPolarHBondContact O-CB 3.11Å; A295-S299 PolarHBondContact O-N 2.95Å; A295-S299 PolarHBondContact O-OG 3.19Å
296P97.8Very high97.4Very high36 Ų3637.5 Ų37.523%0.23419%0.187CC..G310 helixtrans-56.5-35.9175.5-28.336.8000114.1V286 K293 S294 K298 S299 G348V286-P296 HydrophobicContact CG2-CB 4.45Å; V286-P296 HydrophobicContact CG2-CG 3.96Å; K293-P296 WeakPolarHBondContact O-CD 3.26Å; S294-P296 VanDerWaalsContact C-N 3.27Å; S294-P296 VanDerWaalsContact O-N 3.12Å; P296-K298 PolarHBondContact O-N 3.1Å; P296-S299 PolarHBondContact O-N 2.89Å; P296-G348 WeakPolarHBondContact O-CA 3.49Å
297S97.3Very high97.1Very high43 Ų4337.9 Ų37.930%0.30119%0.189SC..G310 helixtrans-73.22.7178.867.20000113.9L30 S294 A295L30-S297 WeakPolarHBondContact CB-O 3.41Å; L30-S297 PolarHBondContact N-O 3.25Å; L30-S297 WeakPolarHBondContact O-CB 3.22Å; S294-S297 PolarHBondContact O-N 2.92Å; S294-S297 PolarHBondContact O-OG 3.29Å; A295-S297 VanDerWaalsContact C-N 3.28Å; A295-S297 PolarHBondContact O-N 2.76Å
298K97.8Very high96.6Very high45 Ų4545.7 Ų45.720%0.19622%0.219CC..G310 helixtrans-13919.7-175.8-50.3176.2-170.3169.60113R252 K256 L259 I260 A295 P296R252-K298 PolarHBondContact NH2-O 3.2Å; K256-K298 WeakPolarHBondContact O-CD 3.45Å; K256-K298 PolarHBondContact O-NZ 3.4Å; L259-K298 CarbonylContact C-O 3.48Å; L259-K298 WeakPolarHBondContact CA-O 3.3Å; L259-K298 HydrophobicContact CD2-CB 4.47Å; I260-K298 PolarHBondContact N-O 3.33Å; A295-K298 CarbonylContact O-C 3.11Å; A295-K298 PolarHBondContact O-N 2.83Å; P296-K298 PolarHBondContact O-N 3.1Å
299S98.8Very high96.2Very high1 Ų147.3 Ų47.31%0.00723%0.226CC..EExtended strand (participates in β ladder)trans-135.5136.3-176.5-54.20000110.6L30 I260 A295 P296 G348 G349L30-S299 WeakPolarHBondContact CD1-O 3.07Å; I260-S299 CarbonylContact O-C 3.55Å; I260-S299 VanDerWaalsContact O-CA 3.32Å; I260-S299 WeakPolarHBondContact O-CA 3.2Å; A295-S299 WeakPolarHBondContact O-CB 3.11Å; A295-S299 PolarHBondContact O-N 2.95Å; A295-S299 PolarHBondContact O-OG 3.19Å; P296-S299 PolarHBondContact O-N 2.89Å; S299-G348 WeakPolarHBondContact O-CA 3.07Å; S299-G349 PolarHBondContact O-N 3.06Å
300V98.9Very high95.8Very high0 Ų046.9 Ų46.90%022%0.22CC..EExtended strand (participates in β ladder)trans-127.9124.6-173.2-178.10000108.1L30 F36 L259 I260 F261 Y262 S302 G349 F351L30-V300 HydrophobicContact CD1-CG2 4.02Å; L30-V300 HydrophobicContact CD2-CG2 4.39Å; F36-V300 HydrophobicContact CE1-CG1 4.47Å; F36-V300 HydrophobicContact CE1-CG2 3.75Å; F36-V300 HydrophobicContact CZ-CG1 4.02Å; F36-V300 HydrophobicContact CZ-CG2 4.07Å; L259-V300 HydrophobicContact CB-CG2 4.14Å; L259-V300 HydrophobicContact CD1-CG2 3.86Å; L259-V300 HydrophobicContact CG-CG2 4.45Å; I260-V300 PolarHBondContact O-N 3.04Å; F261-V300 WeakPolarHBondContact CA-O 3.14Å; F261-V300 HydrophobicContact CD1-CB 3.9Å; F261-V300 HydrophobicContact CD1-CG1 3.75Å; F261-V300 HydrophobicContact CD2-CB 4.45Å; F261-V300 HydrophobicContact CE1-CB 3.97Å; F261-V300 HydrophobicContact CE1-CG1 3.59Å; F261-V300 HydrophobicContact CE1-CG2 4.34Å; F261-V300 HydrophobicContact CE2-CB 4.5Å; F261-V300 HydrophobicContact CE2-CG2 4.33Å; F261-V300 HydrophobicContact CG-CB 4.15Å; F261-V300 HydrophobicContact CG-CG1 4.48Å; F261-V300 HydrophobicContact CZ-CB 4.26Å; F261-V300 HydrophobicContact CZ-CG1 4.2Å; F261-V300 HydrophobicContact CZ-CG2 4.16Å; Y262-V300 WeakPolarHBondContact CD1-O 3.18Å; Y262-V300 WeakPolarHBondContact CE1-O 3.34Å; Y262-V300 PolarHBondContact N-O 2.98Å; V300-S302 PolarHBondContact O-N 3.25Å; V300-S302 VanDerWaalsContact O-N 3.11Å; V300-G349 WeakPolarHBondContact CA-O 3.36Å; V300-F351 HydrophobicContact CG1-CB 3.65Å
301L98.8Very high95.2Very high1 Ų148.6 Ų48.61%0.00523%0.225CC..EExtended strand (participates in β ladder)trans-68.8106.8167.7-18062.6000108.2Y262 P264 T281 V339 A342 T343 G349 R350 F351Y262-L301 HydrophobicContact CD2-CD1 4.18Å; Y262-L301 HydrophobicContact CE2-CB 4.31Å; Y262-L301 HydrophobicContact CE2-CD1 3.72Å; P264-L301 HydrophobicContact CG-CD1 4.45Å; T281-L301 HydrophobicContact CG2-CD1 4.43Å; T281-L301 HydrophobicContact CG2-CD2 4.38Å; L301-V339 HydrophobicContact CD2-CG1 3.95Å; L301-A342 HydrophobicContact CD2-CB 3.92Å; L301-T343 HydrophobicContact CB-CG2 3.78Å; L301-T343 HydrophobicContact CD2-CG2 3.84Å; L301-T343 HydrophobicContact CG-CG2 4.47Å; L301-G349 PolarHBondContact N-O 2.78Å; L301-R350 WeakPolarHBondContact O-CA 3.22Å; L301-F351 PolarHBondContact O-N 3.34Å
302S98.8Very high94.6Very high0 Ų045.5 Ų45.50%023%0.23CC..EExtended strand (participates in β ladder)trans-80135.2169.6176.10000107.8D213 Y262 E263 P264 V300 T353D213-S302 PolarHBondContact OD2-OG 2.96Å; D213-S302 VanDerWaalsContact OD2-OG 3.04Å; Y262-S302 PolarHBondContact O-N 3.47Å; E263-S302 VanDerWaalsContact CG-CB 3.41Å; E263-S302 WeakPolarHBondContact CG-OG 3.47Å; E263-S302 PolarHBondContact OE1-OG 2.9Å; P264-S302 WeakPolarHBondContact CD-O 3.36Å; V300-S302 PolarHBondContact O-N 3.25Å; V300-S302 VanDerWaalsContact O-N 3.11Å; S302-T353 WeakPolarHBondContact OG-CB 3.4Å; S302-T353 VanDerWaalsContact OG-CG2 3.22Å; S302-T353 WeakPolarHBondContact OG-CG2 3.35Å; S302-T353 PolarHBondContact OG-OG1 3.49Å
303Y98.4Very high94Very high7 Ų744.4 Ų44.43%0.02722%0.224CC..EExtended strand (participates in β ladder)trans-154.1150.5178.872.9-79.7000112.1I269 V335 V339 R350 F351 L352 T353 E384I269-Y303 HydrophobicContact CD1-CD2 3.78Å; I269-Y303 HydrophobicContact CD1-CG 4.43Å; Y303-V335 HydrophobicContact CD2-CG1 4.46Å; Y303-V335 HydrophobicContact CE2-CG1 4.41Å; Y303-V339 HydrophobicContact CD1-CG1 3.74Å; Y303-V339 HydrophobicContact CD1-CG2 4.09Å; Y303-V339 HydrophobicContact CD2-CG2 3.76Å; Y303-V339 HydrophobicContact CE1-CB 4.46Å; Y303-V339 HydrophobicContact CE1-CG1 3.59Å; Y303-V339 HydrophobicContact CE1-CG2 4.29Å; Y303-V339 HydrophobicContact CE2-CG2 3.93Å; Y303-V339 HydrophobicContact CG-CG1 4.32Å; Y303-V339 HydrophobicContact CG-CG2 3.82Å; Y303-R350 HydrophobicContact CE1-CB 4.36Å; Y303-F351 WeakPolarHBondContact CD1-O 3.27Å; Y303-F351 VanDerWaalsContact CE1-C 3.42Å; Y303-F351 WeakPolarHBondContact CE1-O 3.29Å; Y303-F351 PolarHBondContact N-O 3.05Å; Y303-L352 HydrophobicContact CD2-CD1 3.9Å; Y303-L352 HydrophobicContact CE1-CB 4.16Å; Y303-L352 HydrophobicContact CE2-CB 4.2Å; Y303-L352 HydrophobicContact CE2-CD1 3.53Å; Y303-L352 HydrophobicContact CE2-CG 4.43Å; Y303-L352 CarbonylContact O-C 3.53Å; Y303-T353 PolarHBondContact N-OG1 2.82Å; Y303-T353 PolarHBondContact O-N 3.24Å; Y303-T353 VanDerWaalsContact O-N 3.09Å; Y303-T353 PolarHBondContact O-OG1 3.3Å; Y303-E384 WeakPolarHBondContact CE1-OE1 3.44Å; Y303-E384 VanDerWaalsContact OH-CD 3.25Å; Y303-E384 VanDerWaalsContact OH-CG 3.27Å; Y303-E384 WeakPolarHBondContact OH-CG 3.42Å; Y303-E384 PolarHBondContact OH-OE1 3.41Å
304H97.2Very high93.5Very high6 Ų643.5 Ų43.53%0.02822%0.217CC..EExtended strand (participates in β ladder)trans-113141.4-176.4-61.9-169.4000111.1N216 E217 E263 I269 Y306 T353 E354N216-H304 PolarHBondContact OD1-CE1 2.95Å; E217-H304 WeakPolarHBondContact CG-ND1 2.98Å; E217-H304 IonicContact OE1-CE1 3.29Å; E217-H304 IonicContact OE1-CG 2.94Å; E217-H304 IonicContact OE1-ND1 2.91Å; E217-H304 PolarHBondContact OE1-ND1 3.4Å; E263-H304 IonicContact OE1-NE2 3.16Å; E263-H304 IonicContact OE2-CE1 3.3Å; E263-H304 IonicContact OE2-NE2 2.91Å; I269-H304 WeakPolarHBondContact CD1-O 3.3Å; H304-Y306 HydrophobicContact CB-CE2 4.35Å; H304-T353 PolarHBondContact CD2-OG1 3.41Å; H304-T353 VanDerWaalsContact CD2-OG1 3.31Å; H304-E354 CarbonylContact C-O 3.44Å; H304-E354 WeakPolarHBondContact CA-O 3.09Å; H304-E354 HydrophobicContact CB-CB 4.01Å; H304-E354 WeakPolarHBondContact CD2-CB 3.43Å; H304-E354 VanDerWaalsContact CE1-CB 3.49Å; H304-E354 WeakPolarHBondContact CE1-CB 3.38Å; H304-E354 VanDerWaalsContact CE1-CD 3.45Å; H304-E354 IonicContact CE1-OE2 2.64Å; H304-E354 PolarHBondContact CE1-OE2 3.35Å; H304-E354 IonicContact ND1-OE1 3.32Å; H304-E354 IonicContact ND1-OE2 2.7Å; H304-E354 WeakPolarHBondContact NE2-CB 3.08Å; H304-E354 IonicContact NE2-OE2 3.78Å
305Y96.1Very high92.9Very high3 Ų344.3 Ų44.31%0.01222%0.221CC..EExtended strand (participates in β ladder)trans-123122.1173.8-178.7-95.8000112.2F270 C307 L332 V335 E354 F355 E371 V375F270-Y305 HydrophobicContact CE1-CE2 4.32Å; Y305-C307 HydrophobicContact CE1-CB 4.48Å; Y305-L332 HydrophobicContact CD1-CD1 4.01Å; Y305-L332 HydrophobicContact CD2-CD1 4.22Å; Y305-L332 HydrophobicContact CE1-CB 4.22Å; Y305-L332 HydrophobicContact CE1-CD1 3.88Å; Y305-L332 HydrophobicContact CE1-CG 4.5Å; Y305-L332 HydrophobicContact CE2-CB 4.06Å; Y305-L332 HydrophobicContact CE2-CD1 4.09Å; Y305-L332 HydrophobicContact CG-CD1 4.18Å; Y305-L332 WeakPolarHBondContact OH-CB 3.38Å; Y305-L332 PolarHBondContact OH-N 2.88Å; Y305-V335 HydrophobicContact CD2-CB 4.09Å; Y305-V335 HydrophobicContact CD2-CG1 3.99Å; Y305-V335 HydrophobicContact CD2-CG2 4.03Å; Y305-V335 HydrophobicContact CE2-CB 4.31Å; Y305-V335 HydrophobicContact CE2-CG2 4.07Å; Y305-E354 PolarHBondContact N-O 3.12Å; Y305-F355 VanDerWaalsContact O-CA 3.32Å; Y305-F355 WeakPolarHBondContact O-CA 3.34Å; Y305-F355 VanDerWaalsContact O-CB 3.28Å; Y305-F355 WeakPolarHBondContact O-CB 3.2Å; Y305-E371 VanDerWaalsContact CE1-OE1 3.31Å; Y305-E371 WeakPolarHBondContact CE1-OE1 3.46Å; Y305-V375 HydrophobicContact CD1-CG2 3.62Å; Y305-V375 HydrophobicContact CE1-CG2 3.64Å
306Y93.1Very high92.4Very high42 Ų4249 Ų4917%0.16525%0.245CC..  trans-135.5125.5168.3-66.8-82.3000108.5H304 W308 E354 G356 L357 W389H304-Y306 HydrophobicContact CB-CE2 4.35Å; Y306-W308 VanDerWaalsContact C-N 3.31Å; Y306-W308 PolarHBondContact O-N 3.17Å; Y306-E354 HydrophobicContact CE2-CG 4.31Å; Y306-E354 WeakPolarHBondContact CE2-OE1 3.38Å; Y306-E354 WeakPolarHBondContact OH-CG 3.3Å; Y306-E354 PolarHBondContact OH-OE1 2.78Å; Y306-G356 VanDerWaalsContact CE1-C 3.47Å; Y306-G356 VanDerWaalsContact CE1-N 3.26Å; Y306-L357 HydrophobicContact CD1-CB 4.19Å; Y306-L357 HydrophobicContact CD1-CD1 3.74Å; Y306-L357 HydrophobicContact CD1-CG 3.76Å; Y306-L357 HydrophobicContact CE1-CB 4.43Å; Y306-L357 HydrophobicContact CE1-CD1 4.2Å; Y306-L357 HydrophobicContact CE1-CG 3.82Å; Y306-W389 WeakPolarHBondContact OH-CB 3.37Å
307C93Very high92.1Very high7 Ų749.1 Ų49.15%0.04725%0.246CC..  trans-70.993169-167.10000109.9Y305 I309 L310 C327 E371Y305-C307 HydrophobicContact CE1-CB 4.48Å; C307-I309 PolarHBondContact O-N 2.83Å; C307-L310 HydrophobicContact CB-CD1 3.81Å; C307-L310 HydrophobicContact CB-CG 4.01Å; C307-L310 WeakPolarHBondContact O-CB 3.27Å; C307-L310 PolarHBondContact O-N 2.81Å; C307-C327 HydrophobicContact CB-CB 3.8Å; C307-C327 WeakPolarHBondContact CB-SG 3.36Å; C307-C327 WeakPolarHBondContact SG-CB 3.3Å; C307-C327 CovalentContact SG-SG 2.04Å; C307-C327 PolarHBondContact SG-SG 2.88Å; C307-E371 WeakPolarHBondContact CB-OE1 3.12Å
308W88.1Confident91.9Very high164 Ų16451.6 Ų51.662%0.62126%0.26SS*.G310 helixtrans-49.2-22.3174.160.3-30.3000116.1Y306 L310 Q311Y306-W308 VanDerWaalsContact C-N 3.31Å; Y306-W308 PolarHBondContact O-N 3.17Å; W308-L310 PolarHBondContact O-N 2.94Å; W308-Q311 PolarHBondContact O-N 3.48Å
309I89.6Confident91.7Very high41 Ų4150 Ų5021%0.2125%0.253CS..G310 helixtrans-65.9-29.2172.9-60.3175.8000111.5C307 W322 K323 L326 L331C307-I309 PolarHBondContact O-N 2.83Å; I309-W322 HydrophobicContact CG2-CH2 4.3Å; I309-W322 HydrophobicContact CG2-CZ3 4.14Å; I309-K323 HydrophobicContact CG2-CB 4.42Å; I309-K323 HydrophobicContact CG2-CD 4.03Å; I309-K323 HydrophobicContact CG2-CG 3.94Å; I309-L326 HydrophobicContact CD1-CB 3.54Å; I309-L326 HydrophobicContact CD1-CD1 3.79Å; I309-L326 HydrophobicContact CD1-CG 4.3Å; I309-L331 HydrophobicContact CD1-CD1 3.52Å; I309-L331 HydrophobicContact CG1-CD1 3.98Å
310L89.4Confident91.4Very high16 Ų1652.1 Ų52.18%0.08427%0.267CS..G310 helixtrans-90.5-8.9-176.6-54.7176.2000113.4C307 W308 S312 D313 M319 K323 C327 V367 E371C307-L310 HydrophobicContact CB-CD1 3.81Å; C307-L310 HydrophobicContact CB-CG 4.01Å; C307-L310 WeakPolarHBondContact O-CB 3.27Å; C307-L310 PolarHBondContact O-N 2.81Å; W308-L310 PolarHBondContact O-N 2.94Å; L310-S312 PolarHBondContact O-N 2.87Å; L310-D313 WeakPolarHBondContact CA-OD2 3.37Å; L310-D313 PolarHBondContact O-N 3.47Å; L310-M319 HydrophobicContact CD1-CE 3.47Å; L310-M319 VanDerWaalsContact CD1-CE 3.47Å; L310-M319 HydrophobicContact CD2-CE 3.83Å; L310-M319 HydrophobicContact CD2-CG 4.43Å; L310-M319 HydrophobicContact CG-CE 4.3Å; L310-K323 HydrophobicContact CD2-CB 4.13Å; L310-K323 HydrophobicContact CD2-CD 4.04Å; L310-C327 VanDerWaalsContact CG-SG 3.58Å; L310-V367 HydrophobicContact CB-CG1 4.18Å; L310-V367 HydrophobicContact CD1-CG1 4Å; L310-V367 HydrophobicContact CD2-CG1 4.13Å; L310-V367 HydrophobicContact CG-CG1 4.32Å; L310-E371 HydrophobicContact CD1-CB 4.04Å; L310-E371 HydrophobicContact CD1-CG 3.89Å; L310-E371 WeakPolarHBondContact CD1-OE2 3.36Å
311Q83.5Confident91.1Very high121 Ų12158.5 Ų58.557%0.56530%0.3SS*.THydrogen-bonded Turntrans-59.9-23.1-171-169.3174.723.400113.9W308W308-Q311 PolarHBondContact O-N 3.48Å
312S83.3Confident91Very high108 Ų10865.5 Ų65.576%0.75533%0.327SS*.THydrogen-bonded Turntrans-102.8-2.7179.158.90000114.2L310L310-S312 PolarHBondContact O-N 2.87Å
313D85Confident90.8Very high37 Ų3766.6 Ų66.620%0.19833%0.332CS..SBendtrans-81149.3178.3-68.8-75.4000111.3L310 P315 K323 V367L310-D313 WeakPolarHBondContact CA-OD2 3.37Å; L310-D313 PolarHBondContact O-N 3.47Å; D313-P315 WeakPolarHBondContact O-CD 3.3Å; D313-K323 IonicContact OD1-NZ 3.01Å; D313-K323 PolarHBondContact OD1-NZ 3.14Å; D313-K323 IonicContact OD2-NZ 3.14Å; D313-K323 PolarHBondContact OD2-NZ 3.25Å; D313-V367 HydrophobicContact CB-CG2 4.22Å
314Y84.8Confident90.6Very high183 Ų18370.1 Ų70.172%0.71835%0.347SS*.  trans-67.6126.6165.1-70.9-76.7000108.8N316 S317Y314-N316 PolarHBondContact O-N 3.01Å; Y314-N316 VanDerWaalsContact O-N 3.1Å; Y314-S317 VanDerWaalsContact O-CB 3.31Å; Y314-S317 WeakPolarHBondContact O-CB 3.46Å; Y314-S317 PolarHBondContact O-N 3.42Å; Y314-S317 PolarHBondContact O-OG 2.76Å
315P82.5Confident90.4Very high62 Ų6273.3 Ų73.340%0.40337%0.367SS..THydrogen-bonded Turntrans-59.2-30.2-173.4-26.734.2000114.3D313 V367 N368D313-P315 WeakPolarHBondContact O-CD 3.3Å; P315-V367 PolarHBondContact O-N 3.27Å; P315-N368 VanDerWaalsContact CB-CG 3.43Å; P315-N368 VanDerWaalsContact CB-ND2 3.26Å; P315-N368 WeakPolarHBondContact CB-ND2 3.31Å; P315-N368 VanDerWaalsContact CB-OD1 3.26Å; P315-N368 WeakPolarHBondContact CB-OD1 3.45Å; P315-N368 VanDerWaalsContact O-CB 3.25Å; P315-N368 WeakPolarHBondContact O-CB 3.39Å; P315-N368 PolarHBondContact O-N 2.6Å; P315-N368 PolarHBondContact O-ND2 3.13Å
316N87.4Confident90.4Very high106 Ų10676.4 Ų76.457%0.56738%0.383SS*.THydrogen-bonded Turntrans-87.4-2.6178.366.8-6.4000114.9Y314 D361Y314-N316 PolarHBondContact O-N 3.01Å; Y314-N316 VanDerWaalsContact O-N 3.1Å; N316-D361 VanDerWaalsContact CA-OD2 3.29Å; N316-D361 WeakPolarHBondContact CA-OD2 3.4Å; N316-D361 WeakPolarHBondContact CB-OD2 3.46Å
317S91.8Very high90.5Very high38 Ų3874.4 Ų74.427%0.26638%0.375SS..SBendtrans-73.2153.517968.30000111.2Y314 M319 S366 V367Y314-S317 VanDerWaalsContact O-CB 3.31Å; Y314-S317 WeakPolarHBondContact O-CB 3.46Å; Y314-S317 PolarHBondContact O-N 3.42Å; Y314-S317 PolarHBondContact O-OG 2.76Å; S317-M319 PolarHBondContact O-N 2.99Å; S317-S366 CarbonylContact O-C 3.57Å; S317-S366 VanDerWaalsContact O-CA 3.23Å; S317-S366 WeakPolarHBondContact O-CA 3.34Å; S317-V367 PolarHBondContact O-N 2.8Å
318T93.7Very high90.5Very high96 Ų9675.4 Ų75.459%0.58938%0.381SS*.BIsolated β-bridgetrans-64124.4174.8-60.50000110.4P320 S365T318-P320 VanDerWaalsContact O-CD 3.26Å; T318-P320 WeakPolarHBondContact O-CD 3.34Å; T318-S365 CarbonylContact C-O 3.59Å; T318-S365 VanDerWaalsContact CA-O 3.29Å; T318-S365 WeakPolarHBondContact CA-O 3.2Å
319M92.9Very high90.8Very high11 Ų1171.7 Ų71.75%0.05438%0.379CS..PPolyproline II helixtrans-69.6120178-167.3-175.9-83.900110.4L310 S317 K323 K324 S365 V367 L370 E371L310-M319 HydrophobicContact CD1-CE 3.47Å; L310-M319 VanDerWaalsContact CD1-CE 3.47Å; L310-M319 HydrophobicContact CD2-CE 3.83Å; L310-M319 HydrophobicContact CD2-CG 4.43Å; L310-M319 HydrophobicContact CG-CE 4.3Å; S317-M319 PolarHBondContact O-N 2.99Å; M319-K323 HydrophobicContact CG-CB 4.22Å; M319-K324 HydrophobicContact CG-CB 4.31Å; M319-K324 VanDerWaalsContact SD-CA 3.55Å; M319-K324 HydrophobicContact SD-CB 3.66Å; M319-K324 HydrophobicContact SD-CG 4.06Å; M319-S365 PolarHBondContact N-O 3.15Å; M319-V367 HydrophobicContact CB-CG2 3.82Å; M319-V367 HydrophobicContact CE-CB 4.25Å; M319-V367 HydrophobicContact CE-CG1 4Å; M319-V367 HydrophobicContact CE-CG2 4.37Å; M319-V367 HydrophobicContact CG-CG2 4.08Å; M319-L370 HydrophobicContact CB-CD1 3.73Å; M319-L370 HydrophobicContact CE-CB 4.21Å; M319-L370 HydrophobicContact SD-CB 4.24Å; M319-L370 HydrophobicContact SD-CD1 4.4Å; M319-E371 HydrophobicContact CE-CB 4.02Å
320P93.1Very high91Very high46 Ų4675.6 Ų75.630%0.29940%0.395SS..PPolyproline II helixtrans-61.2141.1174.3-2233.7000111.5T318 W322 K323 K324T318-P320 VanDerWaalsContact O-CD 3.26Å; T318-P320 WeakPolarHBondContact O-CD 3.34Å; P320-W322 HydrophobicContact CB-CG 4.49Å; P320-W322 PolarHBondContact O-N 2.95Å; P320-W322 VanDerWaalsContact O-N 3.13Å; P320-K323 HydrophobicContact CB-CG 4.35Å; P320-K323 HydrophobicContact CG-CD 4.21Å; P320-K323 HydrophobicContact CG-CG 4.34Å; P320-K323 PolarHBondContact O-N 3.2Å; P320-K324 PolarHBondContact O-N 2.9Å
321L93.6Very high91.2Very high133 Ų13375.7 Ų75.770%0.69640%0.396SS*.Hα-helixtrans-53.1-39.8-178179.762.4000113K323 K324 V325L321-K323 PolarHBondContact O-N 2.9Å; L321-K324 WeakPolarHBondContact O-CB 3.24Å; L321-K324 PolarHBondContact O-N 3.16Å; L321-V325 HydrophobicContact CD1-CG2 4.37Å; L321-V325 WeakPolarHBondContact O-CG2 3.46Å; L321-V325 PolarHBondContact O-N 2.86Å
322W95.2Very high91.9Very high148 Ų14870.3 Ų70.356%0.56137%0.371SS*.Hα-helixtrans-67.4-34.3179.771.8-94000112.6I309 P320 L326I309-W322 HydrophobicContact CG2-CH2 4.3Å; I309-W322 HydrophobicContact CG2-CZ3 4.14Å; P320-W322 HydrophobicContact CB-CG 4.49Å; P320-W322 PolarHBondContact O-N 2.95Å; P320-W322 VanDerWaalsContact O-N 3.13Å; W322-L326 HydrophobicContact CE3-CD1 3.68Å; W322-L326 HydrophobicContact CZ3-CD1 3.8Å; W322-L326 WeakPolarHBondContact O-CG 3.31Å; W322-L326 PolarHBondContact O-N 2.81Å; W322-L326 VanDerWaalsContact O-N 3.13Å
323K94.5Very high92.5Very high24 Ų2467 Ų6710%0.10435%0.346CS..Hα-helixtrans-69-45.9174.8-68.7-165.8177-175.10110.2I309 L310 D313 M319 P320 L321 V325 L326 C327I309-K323 HydrophobicContact CG2-CB 4.42Å; I309-K323 HydrophobicContact CG2-CD 4.03Å; I309-K323 HydrophobicContact CG2-CG 3.94Å; L310-K323 HydrophobicContact CD2-CB 4.13Å; L310-K323 HydrophobicContact CD2-CD 4.04Å; D313-K323 IonicContact OD1-NZ 3.01Å; D313-K323 PolarHBondContact OD1-NZ 3.14Å; D313-K323 IonicContact OD2-NZ 3.14Å; D313-K323 PolarHBondContact OD2-NZ 3.25Å; M319-K323 HydrophobicContact CG-CB 4.22Å; P320-K323 HydrophobicContact CB-CG 4.35Å; P320-K323 HydrophobicContact CG-CD 4.21Å; P320-K323 HydrophobicContact CG-CG 4.34Å; P320-K323 PolarHBondContact O-N 3.2Å; L321-K323 PolarHBondContact O-N 2.9Å; K323-V325 VanDerWaalsContact C-N 3.32Å; K323-V325 PolarHBondContact O-N 3.18Å; K323-L326 PolarHBondContact O-N 3.37Å; K323-L326 VanDerWaalsContact O-N 3.08Å; K323-C327 PolarHBondContact O-N 2.97Å
324K94Very high93Very high80 Ų8067.2 Ų67.235%0.34835%0.349SS..Hα-helixtrans-53.1-48.6174-170.8-176.2178.2176.50112M319 P320 L321 L326 C327 D328 L370M319-K324 HydrophobicContact CG-CB 4.31Å; M319-K324 VanDerWaalsContact SD-CA 3.55Å; M319-K324 HydrophobicContact SD-CB 3.66Å; M319-K324 HydrophobicContact SD-CG 4.06Å; P320-K324 PolarHBondContact O-N 2.9Å; L321-K324 WeakPolarHBondContact O-CB 3.24Å; L321-K324 PolarHBondContact O-N 3.16Å; K324-L326 VanDerWaalsContact C-N 3.34Å; K324-L326 PolarHBondContact O-N 2.86Å; K324-C327 PolarHBondContact O-N 3.35Å; K324-D328 WeakPolarHBondContact CE-OD2 3.12Å; K324-D328 WeakPolarHBondContact CG-OD2 3.4Å; K324-D328 VanDerWaalsContact O-CB 3.26Å; K324-D328 WeakPolarHBondContact O-CB 3.33Å; K324-D328 VanDerWaalsContact O-CG 3.3Å; K324-D328 PolarHBondContact O-N 3.49Å; K324-L370 HydrophobicContact CD-CD1 4.46Å
325V94.8Very high93.6Very high74 Ų7458.6 Ų58.645%0.44832%0.316SS..Hα-helixtrans-61.6-42.3177.6170.50000111.4L321 K323 S329 F330L321-V325 HydrophobicContact CD1-CG2 4.37Å; L321-V325 WeakPolarHBondContact O-CG2 3.46Å; L321-V325 PolarHBondContact O-N 2.86Å; K323-V325 VanDerWaalsContact C-N 3.32Å; K323-V325 PolarHBondContact O-N 3.18Å; V325-S329 WeakPolarHBondContact O-CA 3.41Å; V325-S329 WeakPolarHBondContact O-CB 3.38Å; V325-S329 PolarHBondContact O-N 3.48Å; V325-S329 VanDerWaalsContact O-N 3.09Å; V325-F330 PolarHBondContact O-N 2.61Å
326L94.9Very high94.4Very high67 Ų6756 Ų5635%0.35130%0.299SS..Hα-helixtrans-70.1-40.5180-69.9177.3000113.1I309 W322 K323 K324 F330 L331I309-L326 HydrophobicContact CD1-CB 3.54Å; I309-L326 HydrophobicContact CD1-CD1 3.79Å; I309-L326 HydrophobicContact CD1-CG 4.3Å; W322-L326 HydrophobicContact CE3-CD1 3.68Å; W322-L326 HydrophobicContact CZ3-CD1 3.8Å; W322-L326 WeakPolarHBondContact O-CG 3.31Å; W322-L326 PolarHBondContact O-N 2.81Å; W322-L326 VanDerWaalsContact O-N 3.13Å; K323-L326 PolarHBondContact O-N 3.37Å; K323-L326 VanDerWaalsContact O-N 3.08Å; K324-L326 VanDerWaalsContact C-N 3.34Å; K324-L326 PolarHBondContact O-N 2.86Å; L326-F330 WeakPolarHBondContact O-CB 3.22Å; L326-L331 WeakPolarHBondContact O-CB 3.48Å; L326-L331 VanDerWaalsContact O-CG 3.3Å; L326-L331 WeakPolarHBondContact O-CG 2.94Å; L326-L331 PolarHBondContact O-N 3.18Å
327C94.9Very high94.8Very high0 Ų053.1 Ų53.10%029%0.287CS..Iπ-helixtrans-72.5-63.6177.3-62.40000110.6C307 L310 K323 K324 L331 L332C307-C327 HydrophobicContact CB-CB 3.8Å; C307-C327 WeakPolarHBondContact CB-SG 3.36Å; C307-C327 WeakPolarHBondContact SG-CB 3.3Å; C307-C327 CovalentContact SG-SG 2.04Å; C307-C327 PolarHBondContact SG-SG 2.88Å; L310-C327 VanDerWaalsContact CG-SG 3.58Å; K323-C327 PolarHBondContact O-N 2.97Å; K324-C327 PolarHBondContact O-N 3.35Å; C327-L331 PolarHBondContact O-N 3.38Å; C327-L332 WeakPolarHBondContact O-CB 3.25Å; C327-L332 PolarHBondContact O-N 2.98Å
328D93.8Very high95.1Very high29 Ų2951.8 Ų51.816%0.15528%0.277CS..Iπ-helixtrans-73.1-38.5-168.9-51.85.5000112.9K324 P333 A374K324-D328 WeakPolarHBondContact CE-OD2 3.12Å; K324-D328 WeakPolarHBondContact CG-OD2 3.4Å; K324-D328 VanDerWaalsContact O-CB 3.26Å; K324-D328 WeakPolarHBondContact O-CB 3.33Å; K324-D328 VanDerWaalsContact O-CG 3.3Å; K324-D328 PolarHBondContact O-N 3.49Å; D328-P333 WeakPolarHBondContact O-CD 3.15Å; D328-P333 VanDerWaalsContact O-CG 3.28Å; D328-P333 WeakPolarHBondContact O-CG 3.5Å; D328-A374 HydrophobicContact CB-CB 4.15Å
329S93.3Very high95.3Very high85 Ų8547.3 Ų47.359%0.59425%0.249SC*.Iπ-helixtrans-100.3-13.7-171.4-510000113.7V325V325-S329 WeakPolarHBondContact O-CA 3.41Å; V325-S329 WeakPolarHBondContact O-CB 3.38Å; V325-S329 PolarHBondContact O-N 3.48Å; V325-S329 VanDerWaalsContact O-N 3.09Å
330F94Very high95.5Very high123 Ų12348.1 Ų48.154%0.53925%0.253SS..Iπ-helixtrans-124.2-65-178.3-174.2-98.8000112.9V325 L326 T334V325-F330 PolarHBondContact O-N 2.61Å; L326-F330 WeakPolarHBondContact O-CB 3.22Å; F330-T334 WeakPolarHBondContact O-CB 3.25Å; F330-T334 PolarHBondContact O-N 3.02Å; F330-T334 PolarHBondContact O-OG1 3.44Å
331L95.3Very high95.6Very high19 Ų1950.9 Ų50.910%0.09926%0.261CS..Iπ-helixtrans-65.9-52.6-172.4-73.1172.6000112.3F270 I309 L326 C327 T334 V335F270-L331 HydrophobicContact CD1-CD2 4.3Å; I309-L331 HydrophobicContact CD1-CD1 3.52Å; I309-L331 HydrophobicContact CG1-CD1 3.98Å; L326-L331 WeakPolarHBondContact O-CB 3.48Å; L326-L331 VanDerWaalsContact O-CG 3.3Å; L326-L331 WeakPolarHBondContact O-CG 2.94Å; L326-L331 PolarHBondContact O-N 3.18Å; C327-L331 PolarHBondContact O-N 3.38Å; L331-T334 WeakPolarHBondContact O-CB 3.48Å; L331-T334 PolarHBondContact O-N 2.85Å; L331-V335 WeakPolarHBondContact O-CG2 3.4Å; L331-V335 PolarHBondContact O-N 3.18Å
332L96.5Very high95.7Very high8 Ų844.6 Ų44.64%0.04223%0.228CC..Hα-helixtrans-59.6-53.4-178.7172.262.2000111.8Y305 C327 T334 V335 T336 A374 V375 E378Y305-L332 HydrophobicContact CD1-CD1 4.01Å; Y305-L332 HydrophobicContact CD2-CD1 4.22Å; Y305-L332 HydrophobicContact CE1-CB 4.22Å; Y305-L332 HydrophobicContact CE1-CD1 3.88Å; Y305-L332 HydrophobicContact CE1-CG 4.5Å; Y305-L332 HydrophobicContact CE2-CB 4.06Å; Y305-L332 HydrophobicContact CE2-CD1 4.09Å; Y305-L332 HydrophobicContact CG-CD1 4.18Å; Y305-L332 WeakPolarHBondContact OH-CB 3.38Å; Y305-L332 PolarHBondContact OH-N 2.88Å; C327-L332 WeakPolarHBondContact O-CB 3.25Å; C327-L332 PolarHBondContact O-N 2.98Å; L332-T334 VanDerWaalsContact C-N 3.26Å; L332-T334 PolarHBondContact O-N 3.28Å; L332-V335 PolarHBondContact O-N 3.35Å; L332-T336 PolarHBondContact O-N 3.44Å; L332-T336 PolarHBondContact O-OG1 3.02Å; L332-A374 HydrophobicContact CD2-CB 4.19Å; L332-A374 WeakPolarHBondContact CD2-O 3.23Å; L332-V375 HydrophobicContact CD1-CG2 4.44Å; L332-V375 HydrophobicContact CD2-CG2 4.26Å; L332-E378 HydrophobicContact CD1-CB 4.21Å; L332-E378 HydrophobicContact CD1-CG 4.17Å; L332-E378 HydrophobicContact CD2-CB 3.72Å; L332-E378 HydrophobicContact CD2-CG 4.29Å; L332-E378 HydrophobicContact CG-CB 3.91Å; L332-E378 HydrophobicContact CG-CG 3.91Å
333P96.7Very high95.7Very high37 Ų3738 Ų3824%0.2420%0.204CC..Hα-helixtrans-61.1-32.8175.6-25.734.9000113.7D328 S337D328-P333 WeakPolarHBondContact O-CD 3.15Å; D328-P333 VanDerWaalsContact O-CG 3.28Å; D328-P333 WeakPolarHBondContact O-CG 3.5Å; P333-S337 VanDerWaalsContact O-CB 3.22Å; P333-S337 WeakPolarHBondContact O-CB 3.34Å; P333-S337 PolarHBondContact O-N 3.25Å
334T96.4Very high95.8Very high43 Ų4344.9 Ų44.926%0.26423%0.234SC..Hα-helixtrans-66.7-46.6176.6-66.20000111.1F330 L331 L332 S337 N338F330-T334 WeakPolarHBondContact O-CB 3.25Å; F330-T334 PolarHBondContact O-N 3.02Å; F330-T334 PolarHBondContact O-OG1 3.44Å; L331-T334 WeakPolarHBondContact O-CB 3.48Å; L331-T334 PolarHBondContact O-N 2.85Å; L332-T334 VanDerWaalsContact C-N 3.26Å; L332-T334 PolarHBondContact O-N 3.28Å; T334-S337 PolarHBondContact O-N 3.36Å; T334-N338 WeakPolarHBondContact O-CB 3.36Å; T334-N338 PolarHBondContact O-N 3.25Å; T334-N338 PolarHBondContact O-ND2 3.07Å
335V97.5Very high95.7Very high1 Ų144.8 Ų44.81%0.00624%0.24CC..Hα-helixtrans-58.9-51.8175.9166.50000110.3I269 F270 Y303 Y305 L331 L332 S337 N338 V339I269-V335 HydrophobicContact CB-CG1 4.15Å; I269-V335 HydrophobicContact CD1-CG1 3.42Å; I269-V335 VanDerWaalsContact CD1-CG1 3.42Å; I269-V335 HydrophobicContact CG1-CG1 3.87Å; I269-V335 HydrophobicContact CG1-CG2 4.32Å; F270-V335 HydrophobicContact CD1-CG2 3.57Å; F270-V335 HydrophobicContact CE1-CG2 3.74Å; F270-V335 HydrophobicContact CG-CG2 4.02Å; F270-V335 HydrophobicContact CZ-CG2 4.31Å; Y303-V335 HydrophobicContact CD2-CG1 4.46Å; Y303-V335 HydrophobicContact CE2-CG1 4.41Å; Y305-V335 HydrophobicContact CD2-CB 4.09Å; Y305-V335 HydrophobicContact CD2-CG1 3.99Å; Y305-V335 HydrophobicContact CD2-CG2 4.03Å; Y305-V335 HydrophobicContact CE2-CB 4.31Å; Y305-V335 HydrophobicContact CE2-CG2 4.07Å; L331-V335 WeakPolarHBondContact O-CG2 3.4Å; L331-V335 PolarHBondContact O-N 3.18Å; L332-V335 PolarHBondContact O-N 3.35Å; V335-S337 VanDerWaalsContact C-N 3.3Å; V335-S337 PolarHBondContact O-N 2.82Å; V335-N338 WeakPolarHBondContact O-CB 3.37Å; V335-N338 PolarHBondContact O-N 2.88Å; V335-V339 HydrophobicContact CG1-CG2 4.38Å; V335-V339 WeakPolarHBondContact O-CG2 3.4Å; V335-V339 PolarHBondContact O-N 2.98Å
336T97.5Very high95.8Very high8 Ų841.7 Ų41.75%0.04922%0.222CC..Hα-helixtrans-57.9-43.6178.3-560000111.5L332 N338 V339 I340 E378 H382L332-T336 PolarHBondContact O-N 3.44Å; L332-T336 PolarHBondContact O-OG1 3.02Å; T336-N338 VanDerWaalsContact C-N 3.35Å; T336-N338 PolarHBondContact O-N 3.37Å; T336-V339 PolarHBondContact O-N 3.3Å; T336-I340 HydrophobicContact CG2-CD1 3.93Å; T336-I340 WeakPolarHBondContact O-CB 3.47Å; T336-I340 VanDerWaalsContact O-CG1 3.25Å; T336-I340 WeakPolarHBondContact O-CG1 3.23Å; T336-I340 PolarHBondContact O-N 3.28Å; T336-E378 HydrophobicContact CG2-CG 4.28Å; T336-E378 WeakPolarHBondContact OG1-CG 3.24Å; T336-H382 HydrophobicContact CG2-CB 4.32Å; T336-H382 VanDerWaalsContact CG2-CD2 3.45Å; T336-H382 WeakPolarHBondContact CG2-CD2 3.43Å
337S97.1Very high95.8Very high45 Ų4539.8 Ų39.832%0.31522%0.218SC..Hα-helixtrans-60.9-41.9174.9-167.90000112.6P333 T334 V335 K341P333-S337 VanDerWaalsContact O-CB 3.22Å; P333-S337 WeakPolarHBondContact O-CB 3.34Å; P333-S337 PolarHBondContact O-N 3.25Å; T334-S337 PolarHBondContact O-N 3.36Å; V335-S337 VanDerWaalsContact C-N 3.3Å; V335-S337 PolarHBondContact O-N 2.82Å; S337-K341 WeakPolarHBondContact O-CB 3.2Å; S337-K341 VanDerWaalsContact O-CG 3.25Å; S337-K341 WeakPolarHBondContact O-CG 3.36Å; S337-K341 PolarHBondContact O-N 3.21Å; S337-K341 WeakPolarHBondContact OG-CE 3.33Å; S337-K341 PolarHBondContact OG-NZ 3.27Å
338N97.2Very high96Very high11 Ų1140.4 Ų40.46%0.05922%0.224CC..Hα-helixtrans-67.5-43.4-179.7-70.3-22000111.5I269 T271 P272 T334 V335 T336 K341 A342I269-N338 VanDerWaalsContact O-CB 3.26Å; I269-N338 WeakPolarHBondContact O-CB 3.28Å; I269-N338 PolarHBondContact O-ND2 2.94Å; T271-N338 VanDerWaalsContact C-ND2 3.31Å; T271-N338 PolarHBondContact O-ND2 3.13Å; P272-N338 WeakPolarHBondContact CA-OD1 3.31Å; T334-N338 WeakPolarHBondContact O-CB 3.36Å; T334-N338 PolarHBondContact O-N 3.25Å; T334-N338 PolarHBondContact O-ND2 3.07Å; V335-N338 WeakPolarHBondContact O-CB 3.37Å; V335-N338 PolarHBondContact O-N 2.88Å; T336-N338 VanDerWaalsContact C-N 3.35Å; T336-N338 PolarHBondContact O-N 3.37Å; N338-K341 PolarHBondContact O-N 3.49Å; N338-A342 VanDerWaalsContact O-CB 3.31Å; N338-A342 WeakPolarHBondContact O-CB 3.12Å; N338-A342 PolarHBondContact O-N 3.39Å
339V97.6Very high96.2Very high1 Ų139.1 Ų39.11%0.00622%0.218CC..Hα-helixtrans-61.5-47175.5174.10000110.5I269 L301 Y303 V335 T336 K341 A342 T343 R350I269-V339 HydrophobicContact CB-CG2 4.08Å; I269-V339 HydrophobicContact CG2-CG2 3.83Å; L301-V339 HydrophobicContact CD2-CG1 3.95Å; Y303-V339 HydrophobicContact CD1-CG1 3.74Å; Y303-V339 HydrophobicContact CD1-CG2 4.09Å; Y303-V339 HydrophobicContact CD2-CG2 3.76Å; Y303-V339 HydrophobicContact CE1-CB 4.46Å; Y303-V339 HydrophobicContact CE1-CG1 3.59Å; Y303-V339 HydrophobicContact CE1-CG2 4.29Å; Y303-V339 HydrophobicContact CE2-CG2 3.93Å; Y303-V339 HydrophobicContact CG-CG1 4.32Å; Y303-V339 HydrophobicContact CG-CG2 3.82Å; V335-V339 HydrophobicContact CG1-CG2 4.38Å; V335-V339 WeakPolarHBondContact O-CG2 3.4Å; V335-V339 PolarHBondContact O-N 2.98Å; T336-V339 PolarHBondContact O-N 3.3Å; V339-K341 VanDerWaalsContact C-N 3.32Å; V339-K341 PolarHBondContact O-N 3.09Å; V339-A342 WeakPolarHBondContact O-CB 3.49Å; V339-A342 PolarHBondContact O-N 2.8Å; V339-A342 VanDerWaalsContact O-N 3.13Å; V339-T343 PolarHBondContact O-N 3.26Å; V339-T343 PolarHBondContact O-OG1 3.16Å; V339-R350 HydrophobicContact CG1-CB 3.88Å; V339-R350 HydrophobicContact CG1-CG 4.46Å
340I96.9Very high96.4Very high28 Ų2837.1 Ų37.114%0.14420%0.197CC..Hα-helixtrans-59.3-42.5176.5-70.3166.9000111.5T336 T343 K344T336-I340 HydrophobicContact CG2-CD1 3.93Å; T336-I340 WeakPolarHBondContact O-CB 3.47Å; T336-I340 VanDerWaalsContact O-CG1 3.25Å; T336-I340 WeakPolarHBondContact O-CG1 3.23Å; T336-I340 PolarHBondContact O-N 3.28Å; I340-T343 PolarHBondContact O-OG1 2.74Å; I340-K344 HydrophobicContact CG2-CD 4.3Å; I340-K344 WeakPolarHBondContact O-CB 3.44Å; I340-K344 VanDerWaalsContact O-CG 3.28Å; I340-K344 WeakPolarHBondContact O-CG 3.38Å; I340-K344 PolarHBondContact O-N 3.47Å
341K95.8Very high96.7Very high105 Ų10531.3 Ų31.346%0.45717%0.171SC..Hα-helixtrans-68.4-36.4176.8-73.1167.4-174.8161.30111.8S337 N338 V339 T345S337-K341 WeakPolarHBondContact O-CB 3.2Å; S337-K341 VanDerWaalsContact O-CG 3.25Å; S337-K341 WeakPolarHBondContact O-CG 3.36Å; S337-K341 PolarHBondContact O-N 3.21Å; S337-K341 WeakPolarHBondContact OG-CE 3.33Å; S337-K341 PolarHBondContact OG-NZ 3.27Å; N338-K341 PolarHBondContact O-N 3.49Å; V339-K341 VanDerWaalsContact C-N 3.32Å; V339-K341 PolarHBondContact O-N 3.09Å; K341-T345 PolarHBondContact O-N 3.25Å; K341-T345 VanDerWaalsContact O-N 3.16Å; K341-T345 PolarHBondContact O-OG1 3Å
342A95.6Very high96.8Very high1 Ų130.7 Ų30.71%0.00817%0.168CC..Hα-helixtrans-63.1-49.3177.100000111.1L273 T281 L301 N338 V339 K344 T345 T346L273-A342 HydrophobicContact CD1-CB 4.19Å; T281-A342 HydrophobicContact CG2-CB 3.99Å; L301-A342 HydrophobicContact CD2-CB 3.92Å; N338-A342 VanDerWaalsContact O-CB 3.31Å; N338-A342 WeakPolarHBondContact O-CB 3.12Å; N338-A342 PolarHBondContact O-N 3.39Å; V339-A342 WeakPolarHBondContact O-CB 3.49Å; V339-A342 PolarHBondContact O-N 2.8Å; V339-A342 VanDerWaalsContact O-N 3.13Å; A342-K344 PolarHBondContact O-N 2.88Å; A342-T345 WeakPolarHBondContact O-CA 3.38Å; A342-T345 WeakPolarHBondContact O-CB 3.43Å; A342-T345 PolarHBondContact O-N 3.47Å; A342-T346 PolarHBondContact O-N 3.11Å; A342-T346 PolarHBondContact O-OG1 2.91Å
343T96.3Very high96.9Very high8 Ų830.3 Ų30.35%0.04917%0.166CC..Hα-helixtrans-69.3-32178.559.80000113.5L301 V339 I340 T345 T346 G347 G349 R350L301-T343 HydrophobicContact CB-CG2 3.78Å; L301-T343 HydrophobicContact CD2-CG2 3.84Å; L301-T343 HydrophobicContact CG-CG2 4.47Å; V339-T343 PolarHBondContact O-N 3.26Å; V339-T343 PolarHBondContact O-OG1 3.16Å; I340-T343 PolarHBondContact O-OG1 2.74Å; T343-T345 PolarHBondContact O-N 3.28Å; T343-T346 WeakPolarHBondContact CA-OG1 3.09Å; T343-T346 PolarHBondContact O-N 2.95Å; T343-G347 CarbonylContact O-C 3.34Å; T343-G347 WeakPolarHBondContact O-CA 3.47Å; T343-G347 PolarHBondContact O-N 3.15Å; T343-G349 WeakPolarHBondContact CG2-O 3.05Å; T343-R350 HydrophobicContact CG2-CB 3.87Å; T343-R350 HydrophobicContact CG2-CG 4.44Å
344K95.1Very high97Very high169 Ų16928.8 Ų28.874%0.73516%0.156SC*.Hα-helixtrans-59.4-30.7168.1-77.3176.8-178.6-177.60112.8I340 A342I340-K344 HydrophobicContact CG2-CD 4.3Å; I340-K344 WeakPolarHBondContact O-CB 3.44Å; I340-K344 VanDerWaalsContact O-CG 3.28Å; I340-K344 WeakPolarHBondContact O-CG 3.38Å; I340-K344 PolarHBondContact O-N 3.47Å; A342-K344 PolarHBondContact O-N 2.88Å
345T93.6Very high96.9Very high78 Ų7826.8 Ų26.848%0.47914%0.144SC..Hα-helixtrans-82.4-46.4179.2-56.50000111.6L273 K341 A342 T343L273-T345 HydrophobicContact CD1-CG2 4.27Å; K341-T345 PolarHBondContact O-N 3.25Å; K341-T345 VanDerWaalsContact O-N 3.16Å; K341-T345 PolarHBondContact O-OG1 3Å; A342-T345 WeakPolarHBondContact O-CA 3.38Å; A342-T345 WeakPolarHBondContact O-CB 3.43Å; A342-T345 PolarHBondContact O-N 3.47Å; T343-T345 PolarHBondContact O-N 3.28Å
346T95.7Very high96.6Very high10 Ų1027.1 Ų27.16%0.06115%0.147CC..Hα-helixtrans-80.5-22.7-176.855.30000113.4Y262 F283 A342 T343Y262-T346 PolarHBondContact OH-OG1 3.03Å; F283-T346 HydrophobicContact CB-CG2 3.76Å; A342-T346 PolarHBondContact O-N 3.11Å; A342-T346 PolarHBondContact O-OG1 2.91Å; T343-T346 WeakPolarHBondContact CA-OG1 3.09Å; T343-T346 PolarHBondContact O-N 2.95Å
347G95.5Very high95.8Very high26 Ų2632.2 Ų32.227%0.26817%0.174SC..  trans74.2179.6-156.200000111.7V286 T343V286-G347 WeakPolarHBondContact CG1-O 3.25Å; T343-G347 CarbonylContact O-C 3.34Å; T343-G347 WeakPolarHBondContact O-CA 3.47Å; T343-G347 PolarHBondContact O-N 3.15Å
348G98Very high95.2Very high14 Ų1430.5 Ų30.514%0.14416%0.161CC..SBendtrans83.1-171.5177.200000114.8G34 P296 S299G34-G348 WeakPolarHBondContact CA-O 3.16Å; P296-G348 WeakPolarHBondContact O-CA 3.49Å; S299-G348 WeakPolarHBondContact O-CA 3.07Å
349G98.4Very high94.4Very high1 Ų130.3 Ų30.31%0.0116%0.162CC..EExtended strand (participates in β ladder)trans-95.3179.4-174.900000112.3L30 G34 S299 V300 L301 T343L30-G349 VanDerWaalsContact CD1-N 3.34Å; G34-G349 VanDerWaalsContact O-CA 3.23Å; G34-G349 WeakPolarHBondContact O-CA 3.22Å; S299-G349 PolarHBondContact O-N 3.06Å; V300-G349 WeakPolarHBondContact CA-O 3.36Å; L301-G349 PolarHBondContact N-O 2.78Å; T343-G349 WeakPolarHBondContact CG2-O 3.05Å
350R98.4Very high93.7Very high44 Ų4431.1 Ų31.117%0.16617%0.166CC..EExtended strand (participates in β ladder)trans-140.2153.2172.148.5178.7-164.2-71.9-11.9109.9L301 Y303 V339 T343 H382 E384L301-R350 WeakPolarHBondContact O-CA 3.22Å; Y303-R350 HydrophobicContact CE1-CB 4.36Å; V339-R350 HydrophobicContact CG1-CB 3.88Å; V339-R350 HydrophobicContact CG1-CG 4.46Å; T343-R350 HydrophobicContact CG2-CB 3.87Å; T343-R350 HydrophobicContact CG2-CG 4.44Å; R350-H382 PolarHBondContact NH2-O 2.89Å; R350-E384 WeakPolarHBondContact CB-OE1 3.37Å; R350-E384 WeakPolarHBondContact CD-OE1 3.5Å; R350-E384 VanDerWaalsContact CD-OE2 3.31Å; R350-E384 WeakPolarHBondContact CD-OE2 3.39Å; R350-E384 WeakPolarHBondContact CG-OE1 3.47Å; R350-E384 IonicContact CZ-OE2 3.67Å; R350-E384 IonicContact NE-OE1 2.85Å; R350-E384 IonicContact NE-OE2 3.3Å; R350-E384 PolarHBondContact NE-OE2 3.49Å; R350-E384 IonicContact NH2-OE2 2.57Å
351F98.9Very high93.3Very high0 Ų032.5 Ų32.50%017%0.174CC..EExtended strand (participates in β ladder)trans-153126.4-179.9-159.2-63.8000108.8F36 F46 V79 I119 L210 F261 V300 L301 Y303 T353 E384 T387F36-F351 HydrophobicContact CE1-CD2 4.37Å; F36-F351 HydrophobicContact CE2-CD2 4.13Å; F36-F351 HydrophobicContact CZ-CB 4.42Å; F36-F351 AromaticContact CZ-CD2 3.68Å; F36-F351 HydrophobicContact CZ-CD2 3.68Å; F46-F351 HydrophobicContact CB-CE2 3.76Å; F46-F351 HydrophobicContact CB-CZ 3.91Å; F46-F351 HydrophobicContact CD2-CE2 4.13Å; F46-F351 HydrophobicContact CG-CE2 4.23Å; V79-F351 HydrophobicContact CG1-CZ 4.11Å; I119-F351 HydrophobicContact CD1-CD1 4.44Å; I119-F351 HydrophobicContact CD1-CD2 4.34Å; I119-F351 HydrophobicContact CD1-CE1 4.07Å; I119-F351 HydrophobicContact CD1-CE2 3.96Å; I119-F351 HydrophobicContact CD1-CZ 3.83Å; L210-F351 HydrophobicContact CD2-CE2 4.23Å; F261-F351 HydrophobicContact CD1-CB 4.34Å; F261-F351 HydrophobicContact CE1-CB 3.73Å; F261-F351 AromaticContact CE1-CD2 3.77Å; F261-F351 HydrophobicContact CE1-CD2 3.77Å; F261-F351 AromaticContact CE1-CG 3.8Å; F261-F351 HydrophobicContact CE1-CG 3.8Å; F261-F351 HydrophobicContact CZ-CD2 4.16Å; V300-F351 HydrophobicContact CG1-CB 3.65Å; L301-F351 PolarHBondContact O-N 3.34Å; Y303-F351 WeakPolarHBondContact CD1-O 3.27Å; Y303-F351 VanDerWaalsContact CE1-C 3.42Å; Y303-F351 WeakPolarHBondContact CE1-O 3.29Å; Y303-F351 PolarHBondContact N-O 3.05Å; F351-T353 VanDerWaalsContact C-N 3.26Å; F351-T353 HydrophobicContact CB-CG2 4.16Å; F351-T353 HydrophobicContact CD1-CG2 3.67Å; F351-T353 HydrophobicContact CE1-CG2 4.41Å; F351-T353 HydrophobicContact CG-CG2 4.17Å; F351-T353 PolarHBondContact O-N 2.88Å; F351-E384 PolarHBondContact N-OE1 3.26Å; F351-T387 HydrophobicContact CE1-CG2 4.01Å; F351-T387 HydrophobicContact CZ-CG2 4.27Å
352L98.7Very high92.8Very high7 Ų729.8 Ų29.84%0.03718%0.176CC..EExtended strand (participates in β ladder)trans-76.181.1171.5176.862.8000108.5Y303 E354 F355 V375 E384 S385 W386 T387Y303-L352 HydrophobicContact CD2-CD1 3.9Å; Y303-L352 HydrophobicContact CE1-CB 4.16Å; Y303-L352 HydrophobicContact CE2-CB 4.2Å; Y303-L352 HydrophobicContact CE2-CD1 3.53Å; Y303-L352 HydrophobicContact CE2-CG 4.43Å; Y303-L352 CarbonylContact O-C 3.53Å; L352-E354 WeakPolarHBondContact CD1-O 3.38Å; L352-E354 PolarHBondContact O-N 2.71Å; L352-F355 HydrophobicContact CD1-CB 4.4Å; L352-F355 HydrophobicContact CD2-CB 4.34Å; L352-F355 HydrophobicContact CD2-CD1 3.72Å; L352-F355 HydrophobicContact CD2-CE1 4.29Å; L352-F355 HydrophobicContact CD2-CG 4.15Å; L352-F355 HydrophobicContact CG-CD1 3.97Å; L352-V375 HydrophobicContact CD2-CG1 3.86Å; L352-E384 HydrophobicContact CB-CG 4.15Å; L352-S385 PolarHBondContact N-O 2.91Å; L352-W386 HydrophobicContact CB-CB 3.98Å; L352-W386 HydrophobicContact CD2-CB 4.11Å; L352-W386 HydrophobicContact CG-CB 4.24Å; L352-W386 CarbonylContact O-C 3.48Å; L352-W386 WeakPolarHBondContact O-CA 3.29Å; L352-T387 PolarHBondContact O-N 3.29Å
353T98.7Very high92.6Very high0 Ų032.6 Ų32.60%019%0.191CC..EExtended strand (participates in β ladder)trans-71.8-18.7-171.438.20000112.9N50 F261 S302 Y303 H304 F351 T387N50-T353 PolarHBondContact ND2-O 2.83Å; F261-T353 HydrophobicContact CD1-CG2 3.95Å; F261-T353 HydrophobicContact CE1-CG2 4.25Å; S302-T353 WeakPolarHBondContact OG-CB 3.4Å; S302-T353 VanDerWaalsContact OG-CG2 3.22Å; S302-T353 WeakPolarHBondContact OG-CG2 3.35Å; S302-T353 PolarHBondContact OG-OG1 3.49Å; Y303-T353 PolarHBondContact N-OG1 2.82Å; Y303-T353 PolarHBondContact O-N 3.24Å; Y303-T353 VanDerWaalsContact O-N 3.09Å; Y303-T353 PolarHBondContact O-OG1 3.3Å; H304-T353 PolarHBondContact CD2-OG1 3.41Å; H304-T353 VanDerWaalsContact CD2-OG1 3.31Å; F351-T353 VanDerWaalsContact C-N 3.26Å; F351-T353 HydrophobicContact CB-CG2 4.16Å; F351-T353 HydrophobicContact CD1-CG2 3.67Å; F351-T353 HydrophobicContact CE1-CG2 4.41Å; F351-T353 HydrophobicContact CG-CG2 4.17Å; F351-T353 PolarHBondContact O-N 2.88Å; T353-T387 CarbonylContact C-O 3.56Å; T353-T387 VanDerWaalsContact CA-OG1 3.3Å; T353-T387 WeakPolarHBondContact CA-OG1 3.28Å; T353-T387 PolarHBondContact O-OG1 3.43Å
354E97.7Very high92.2Very high5 Ų536.4 Ų36.42%0.02322%0.216CC..EExtended strand (participates in β ladder)trans-151.2136.9174.1-156.5177.2117.900111.8R81 N216 H304 Y305 Y306 L352 T387 W389R81-E354 IonicContact NH1-OE2 3.1Å; N216-E354 PolarHBondContact OD1-OE2 3.24Å; H304-E354 CarbonylContact C-O 3.44Å; H304-E354 WeakPolarHBondContact CA-O 3.09Å; H304-E354 HydrophobicContact CB-CB 4.01Å; H304-E354 WeakPolarHBondContact CD2-CB 3.43Å; H304-E354 VanDerWaalsContact CE1-CB 3.49Å; H304-E354 WeakPolarHBondContact CE1-CB 3.38Å; H304-E354 VanDerWaalsContact CE1-CD 3.45Å; H304-E354 IonicContact CE1-OE2 2.64Å; H304-E354 PolarHBondContact CE1-OE2 3.35Å; H304-E354 IonicContact ND1-OE1 3.32Å; H304-E354 IonicContact ND1-OE2 2.7Å; H304-E354 WeakPolarHBondContact NE2-CB 3.08Å; H304-E354 IonicContact NE2-OE2 3.78Å; Y305-E354 PolarHBondContact N-O 3.12Å; Y306-E354 HydrophobicContact CE2-CG 4.31Å; Y306-E354 WeakPolarHBondContact CE2-OE1 3.38Å; Y306-E354 WeakPolarHBondContact OH-CG 3.3Å; Y306-E354 PolarHBondContact OH-OE1 2.78Å; L352-E354 WeakPolarHBondContact CD1-O 3.38Å; L352-E354 PolarHBondContact O-N 2.71Å; E354-T387 WeakPolarHBondContact CA-O 3.35Å; E354-W389 HydrophobicContact CG-CB 3.61Å; E354-W389 HydrophobicContact CG-CD2 4.08Å; E354-W389 HydrophobicContact CG-CE3 3.8Å; E354-W389 HydrophobicContact CG-CG 4.02Å
355F95.6Very high92Very high1 Ų131.1 Ų31.10%0.00420%0.2CC..EExtended strand (participates in β ladder)trans-152.7157.7160.167.7-75.1000106.7Y305 L352 V375 L376 W386 F388 W389 F408Y305-F355 VanDerWaalsContact O-CA 3.32Å; Y305-F355 WeakPolarHBondContact O-CA 3.34Å; Y305-F355 VanDerWaalsContact O-CB 3.28Å; Y305-F355 WeakPolarHBondContact O-CB 3.2Å; L352-F355 HydrophobicContact CD1-CB 4.4Å; L352-F355 HydrophobicContact CD2-CB 4.34Å; L352-F355 HydrophobicContact CD2-CD1 3.72Å; L352-F355 HydrophobicContact CD2-CE1 4.29Å; L352-F355 HydrophobicContact CD2-CG 4.15Å; L352-F355 HydrophobicContact CG-CD1 3.97Å; F355-V375 HydrophobicContact CB-CG1 4.2Å; F355-V375 HydrophobicContact CD1-CG1 4.45Å; F355-V375 HydrophobicContact CD2-CB 4.18Å; F355-V375 HydrophobicContact CD2-CG1 3.56Å; F355-V375 HydrophobicContact CE2-CB 4.46Å; F355-V375 HydrophobicContact CE2-CG1 3.97Å; F355-V375 HydrophobicContact CG-CG1 3.82Å; F355-L376 HydrophobicContact CE2-CD2 4.36Å; F355-L376 HydrophobicContact CZ-CD2 3.88Å; F355-W386 HydrophobicContact CE1-CB 3.97Å; F355-W386 HydrophobicContact CE1-CD2 4.01Å; F355-W386 AromaticContact CE1-CE3 3.7Å; F355-W386 HydrophobicContact CE1-CE3 3.7Å; F355-W386 HydrophobicContact CE1-CG 4.16Å; F355-W386 HydrophobicContact CZ-CD2 4.27Å; F355-W386 AromaticContact CZ-CE3 3.96Å; F355-W386 HydrophobicContact CZ-CE3 3.96Å; F355-W386 HydrophobicContact CZ-CZ3 4.39Å; F355-F388 HydrophobicContact CD2-CD2 4.35Å; F355-F388 HydrophobicContact CE1-CB 4.18Å; F355-F388 HydrophobicContact CE2-CD2 4.1Å; F355-F388 HydrophobicContact CZ-CB 4.16Å; F355-F388 HydrophobicContact CZ-CD2 4.29Å; F355-F388 VanDerWaalsContact O-CD2 3.27Å; F355-F388 WeakPolarHBondContact O-CD2 3.43Å; F355-W389 PolarHBondContact O-N 3.12Å; F355-F408 AromaticContact CE2-CE1 3.72Å; F355-F408 HydrophobicContact CE2-CE1 3.72Å; F355-F408 HydrophobicContact CE2-CZ 4.21Å; F355-F408 HydrophobicContact CZ-CD1 4.34Å; F355-F408 AromaticContact CZ-CE1 3.62Å; F355-F408 HydrophobicContact CZ-CE1 3.62Å
356G90.6Very high91.9Very high7 Ų727.4 Ų27.47%0.07218%0.177CC..  trans179.4-152.1-175.900000112.4Y306 C358Y306-G356 VanDerWaalsContact CE1-C 3.47Å; Y306-G356 VanDerWaalsContact CE1-N 3.26Å; G356-C358 PolarHBondContact O-N 3.04Å; G356-C358 VanDerWaalsContact O-N 3.16Å
357L80.8Confident91.6Very high116 Ų11627 Ų2761%0.60718%0.175SC*.SBendtrans54.526.1-168.8-56.6176.8000112.8Y306Y306-L357 HydrophobicContact CD1-CB 4.19Å; Y306-L357 HydrophobicContact CD1-CD1 3.74Å; Y306-L357 HydrophobicContact CD1-CG 3.76Å; Y306-L357 HydrophobicContact CE1-CB 4.43Å; Y306-L357 HydrophobicContact CE1-CD1 4.2Å; Y306-L357 HydrophobicContact CE1-CG 3.82Å
358C83.4Confident91.2Very high8 Ų826.9 Ų26.95%0.05417%0.168CC..  trans-144153.7174.474.40000108.3G356 N368 E371 C372 F388G356-C358 PolarHBondContact O-N 3.04Å; G356-C358 VanDerWaalsContact O-N 3.16Å; C358-N368 VanDerWaalsContact CA-OD1 3.31Å; C358-N368 WeakPolarHBondContact CA-OD1 3.49Å; C358-N368 WeakPolarHBondContact CB-O 3.44Å; C358-E371 HydrophobicContact CB-CB 3.95Å; C358-E371 HydrophobicContact CB-CG 3.98Å; C358-C372 HydrophobicContact CB-CB 3.84Å; C358-C372 WeakPolarHBondContact CB-SG 3.48Å; C358-C372 PolarHBondContact O-SG 2.97Å; C358-C372 VanDerWaalsContact O-SG 3.38Å; C358-C372 WeakPolarHBondContact SG-CA 3.46Å; C358-C372 WeakPolarHBondContact SG-CB 3.17Å; C358-C372 CovalentContact SG-SG 2.04Å; C358-C372 PolarHBondContact SG-SG 2.74Å; C358-F388 WeakPolarHBondContact O-CZ 3.48Å
359G82.2Confident90.9Very high7 Ų726.5 Ų26.57%0.07216%0.163CC..  trans-177.2115.5174.400000109.4D361 N368 C372G359-D361 PolarHBondContact O-N 2.65Å; G359-N368 PolarHBondContact N-OD1 3.45Å; G359-N368 VanDerWaalsContact N-OD1 3.08Å; G359-N368 VanDerWaalsContact O-CB 3.22Å; G359-N368 WeakPolarHBondContact O-CB 3.45Å; G359-N368 VanDerWaalsContact O-CG 3.24Å; G359-N368 PolarHBondContact O-ND2 3.39Å; G359-C372 PolarHBondContact N-SG 2.96Å; G359-C372 VanDerWaalsContact N-SG 3.42Å
360D82.9Confident90.6Very high19 Ų1928 Ų2810%0.10217%0.171CC..  trans-49.5118.8-174-174.6-1000110.7G362 T369 T403D360-G362 PolarHBondContact OD1-N 3.38Å; D360-T369 WeakPolarHBondContact CA-OG1 3.3Å; D360-T369 HydrophobicContact CB-CG2 4.42Å; D360-T369 WeakPolarHBondContact OD1-CG2 3.27Å; D360-T369 PolarHBondContact OD1-OG1 3.02Å; D360-T403 WeakPolarHBondContact O-CB 3.46Å; D360-T403 PolarHBondContact O-OG1 2.93Å
361D87.1Confident90.3Very high56 Ų5626.2 Ų26.230%0.29916%0.164SC..  trans-105.28.6-177.662.96.8000112.1N316 G359 N363 S366 T369N316-D361 VanDerWaalsContact CA-OD2 3.29Å; N316-D361 WeakPolarHBondContact CA-OD2 3.4Å; N316-D361 WeakPolarHBondContact CB-OD2 3.46Å; G359-D361 PolarHBondContact O-N 2.65Å; D361-N363 PolarHBondContact O-N 2.66Å; D361-N363 WeakPolarHBondContact OD1-CB 3.16Å; D361-N363 PolarHBondContact OD1-N 3.38Å; D361-S366 VanDerWaalsContact CG-OG 3.31Å; D361-S366 WeakPolarHBondContact OD1-CB 3.26Å; D361-S366 PolarHBondContact OD1-OG 3.11Å; D361-S366 WeakPolarHBondContact OD2-CB 3.26Å; D361-S366 PolarHBondContact OD2-OG 2.82Å; D361-T369 PolarHBondContact N-OG1 3.49Å; D361-T369 PolarHBondContact OD1-OG1 2.65Å
362G85.9Confident89.9Confident49 Ų4926.2 Ų26.251%0.50516%0.164SC..SBendtrans80.9-4.3-178.200000114.1D360 P364D360-G362 PolarHBondContact OD1-N 3.38Å; G362-P364 WeakPolarHBondContact O-CD 3.41Å
363N90.5Very high89.7Confident59 Ų5926.3 Ų26.332%0.31617%0.165SC..  trans-93.5107.2171.6175.65.8000109.5D361 S365 S366 T369D361-N363 PolarHBondContact O-N 2.66Å; D361-N363 WeakPolarHBondContact OD1-CB 3.16Å; D361-N363 PolarHBondContact OD1-N 3.38Å; N363-S365 PolarHBondContact O-N 3.16Å; N363-S365 PolarHBondContact OD1-N 2.89Å; N363-S365 VanDerWaalsContact OD1-N 3.11Å; N363-S366 WeakPolarHBondContact O-CB 3.28Å; N363-S366 PolarHBondContact O-N 2.7Å; N363-S366 PolarHBondContact O-OG 3.15Å; N363-T369 WeakPolarHBondContact O-CB 3.4Å; N363-T369 PolarHBondContact O-OG1 3.16Å
364P88.2Confident89.5Confident89 Ų8927 Ų2758%0.57817%0.17SC*.THydrogen-bonded Turntrans-65.4-8.5-174.928.5-36.7000114.2G362 L370G362-P364 WeakPolarHBondContact O-CD 3.41Å; P364-L370 WeakPolarHBondContact O-CD2 3.37Å
365S90.3Very high89.4Confident57 Ų5726.9 Ų26.940%0.39917%0.17SC..THydrogen-bonded Turntrans-108.20.7177.1-56.80000113.4T318 M319 N363T318-S365 CarbonylContact C-O 3.59Å; T318-S365 VanDerWaalsContact CA-O 3.29Å; T318-S365 WeakPolarHBondContact CA-O 3.2Å; M319-S365 PolarHBondContact N-O 3.15Å; N363-S365 PolarHBondContact O-N 3.16Å; N363-S365 PolarHBondContact OD1-N 2.89Å; N363-S365 VanDerWaalsContact OD1-N 3.11Å
366S91.8Very high89.4Confident0 Ų026.9 Ų26.90%017%0.17CC..BIsolated β-bridgetrans-71.4155-18068.40000111.8S317 D361 N363 N368 T369 L370S317-S366 CarbonylContact O-C 3.57Å; S317-S366 VanDerWaalsContact O-CA 3.23Å; S317-S366 WeakPolarHBondContact O-CA 3.34Å; D361-S366 VanDerWaalsContact CG-OG 3.31Å; D361-S366 WeakPolarHBondContact OD1-CB 3.26Å; D361-S366 PolarHBondContact OD1-OG 3.11Å; D361-S366 WeakPolarHBondContact OD2-CB 3.26Å; D361-S366 PolarHBondContact OD2-OG 2.82Å; N363-S366 WeakPolarHBondContact O-CB 3.28Å; N363-S366 PolarHBondContact O-N 2.7Å; N363-S366 PolarHBondContact O-OG 3.15Å; S366-N368 VanDerWaalsContact C-N 3.25Å; S366-N368 PolarHBondContact O-N 3.43Å; S366-T369 PolarHBondContact O-N 3.35Å; S366-T369 WeakPolarHBondContact OG-CB 3.28Å; S366-T369 PolarHBondContact OG-N 3.38Å; S366-T369 PolarHBondContact OG-OG1 3.14Å; S366-L370 WeakPolarHBondContact O-CB 3.36Å; S366-L370 WeakPolarHBondContact O-CG 3.4Å; S366-L370 PolarHBondContact O-N 3.45Å; S366-L370 VanDerWaalsContact O-N 3.08Å
367V89.7Confident89.6Confident3 Ų329.5 Ų29.52%0.01818%0.182CC..Hα-helixtrans-53.7-47.6170.5170.30000110.2L310 D313 P315 S317 M319 E371L310-V367 HydrophobicContact CB-CG1 4.18Å; L310-V367 HydrophobicContact CD1-CG1 4Å; L310-V367 HydrophobicContact CD2-CG1 4.13Å; L310-V367 HydrophobicContact CG-CG1 4.32Å; D313-V367 HydrophobicContact CB-CG2 4.22Å; P315-V367 PolarHBondContact O-N 3.27Å; S317-V367 PolarHBondContact O-N 2.8Å; M319-V367 HydrophobicContact CB-CG2 3.82Å; M319-V367 HydrophobicContact CE-CB 4.25Å; M319-V367 HydrophobicContact CE-CG1 4Å; M319-V367 HydrophobicContact CE-CG2 4.37Å; M319-V367 HydrophobicContact CG-CG2 4.08Å; V367-E371 WeakPolarHBondContact O-CB 3.25Å; V367-E371 PolarHBondContact O-N 3.16Å
368N88.3Confident90.4Very high23 Ų2324.9 Ų24.912%0.12316%0.158CC..Hα-helixtrans-51-57.9176.5-99.5-21.2000113.9P315 C358 G359 S366 C372P315-N368 VanDerWaalsContact CB-CG 3.43Å; P315-N368 VanDerWaalsContact CB-ND2 3.26Å; P315-N368 WeakPolarHBondContact CB-ND2 3.31Å; P315-N368 VanDerWaalsContact CB-OD1 3.26Å; P315-N368 WeakPolarHBondContact CB-OD1 3.45Å; P315-N368 VanDerWaalsContact O-CB 3.25Å; P315-N368 WeakPolarHBondContact O-CB 3.39Å; P315-N368 PolarHBondContact O-N 2.6Å; P315-N368 PolarHBondContact O-ND2 3.13Å; C358-N368 VanDerWaalsContact CA-OD1 3.31Å; C358-N368 WeakPolarHBondContact CA-OD1 3.49Å; C358-N368 WeakPolarHBondContact CB-O 3.44Å; G359-N368 PolarHBondContact N-OD1 3.45Å; G359-N368 VanDerWaalsContact N-OD1 3.08Å; G359-N368 VanDerWaalsContact O-CB 3.22Å; G359-N368 WeakPolarHBondContact O-CB 3.45Å; G359-N368 VanDerWaalsContact O-CG 3.24Å; G359-N368 PolarHBondContact O-ND2 3.39Å; S366-N368 VanDerWaalsContact C-N 3.25Å; S366-N368 PolarHBondContact O-N 3.43Å; N368-C372 WeakPolarHBondContact O-CB 3.22Å; N368-C372 PolarHBondContact O-N 3.28Å
369T90.5Very high91.1Very high6 Ų624.8 Ų24.84%0.03716%0.157CC..Hα-helixtrans-73.1-39.8-172.7-61.60000111.4D360 D361 N363 S366 N373D360-T369 WeakPolarHBondContact CA-OG1 3.3Å; D360-T369 HydrophobicContact CB-CG2 4.42Å; D360-T369 WeakPolarHBondContact OD1-CG2 3.27Å; D360-T369 PolarHBondContact OD1-OG1 3.02Å; D361-T369 PolarHBondContact N-OG1 3.49Å; D361-T369 PolarHBondContact OD1-OG1 2.65Å; N363-T369 WeakPolarHBondContact O-CB 3.4Å; N363-T369 PolarHBondContact O-OG1 3.16Å; S366-T369 PolarHBondContact O-N 3.35Å; S366-T369 WeakPolarHBondContact OG-CB 3.28Å; S366-T369 PolarHBondContact OG-N 3.38Å; S366-T369 PolarHBondContact OG-OG1 3.14Å; T369-N373 WeakPolarHBondContact O-CB 3.48Å; T369-N373 PolarHBondContact O-N 2.97Å; T369-N373 PolarHBondContact O-ND2 3.4Å
370L91.9Very high91.8Very high33 Ų3324.7 Ų24.717%0.17316%0.155CC..Hα-helixtrans-68.1-46.9-179.3-72.4171.4000112.1M319 K324 P364 S366 N373 A374M319-L370 HydrophobicContact CB-CD1 3.73Å; M319-L370 HydrophobicContact CE-CB 4.21Å; M319-L370 HydrophobicContact SD-CB 4.24Å; M319-L370 HydrophobicContact SD-CD1 4.4Å; K324-L370 HydrophobicContact CD-CD1 4.46Å; P364-L370 WeakPolarHBondContact O-CD2 3.37Å; S366-L370 WeakPolarHBondContact O-CB 3.36Å; S366-L370 WeakPolarHBondContact O-CG 3.4Å; S366-L370 PolarHBondContact O-N 3.45Å; S366-L370 VanDerWaalsContact O-N 3.08Å; L370-N373 PolarHBondContact O-N 2.97Å; L370-A374 WeakPolarHBondContact O-CB 2.93Å; L370-A374 PolarHBondContact O-N 2.99Å
371E92.5Very high92.5Very high6 Ų629 Ų293%0.02817%0.173CC..Hα-helixtrans-63.8-48.6-178.5179.968.5177.700111.5Y305 C307 L310 M319 C358 V367 N373 A374 V375Y305-E371 VanDerWaalsContact CE1-OE1 3.31Å; Y305-E371 WeakPolarHBondContact CE1-OE1 3.46Å; C307-E371 WeakPolarHBondContact CB-OE1 3.12Å; L310-E371 HydrophobicContact CD1-CB 4.04Å; L310-E371 HydrophobicContact CD1-CG 3.89Å; L310-E371 WeakPolarHBondContact CD1-OE2 3.36Å; M319-E371 HydrophobicContact CE-CB 4.02Å; C358-E371 HydrophobicContact CB-CB 3.95Å; C358-E371 HydrophobicContact CB-CG 3.98Å; V367-E371 WeakPolarHBondContact O-CB 3.25Å; V367-E371 PolarHBondContact O-N 3.16Å; E371-N373 VanDerWaalsContact C-N 3.34Å; E371-N373 PolarHBondContact O-N 3.19Å; E371-A374 PolarHBondContact O-N 2.73Å; E371-V375 WeakPolarHBondContact O-CG2 3.33Å; E371-V375 PolarHBondContact O-N 3.32Å
372C91.5Very high93Very high0 Ų028.8 Ų28.80%017%0.17CC..Hα-helixtrans-60.9-43.7-179.8-96.50000112.1C358 G359 N368 A374 V375 L376 F408C358-C372 HydrophobicContact CB-CB 3.84Å; C358-C372 WeakPolarHBondContact CB-SG 3.48Å; C358-C372 PolarHBondContact O-SG 2.97Å; C358-C372 VanDerWaalsContact O-SG 3.38Å; C358-C372 WeakPolarHBondContact SG-CA 3.46Å; C358-C372 WeakPolarHBondContact SG-CB 3.17Å; C358-C372 CovalentContact SG-SG 2.04Å; C358-C372 PolarHBondContact SG-SG 2.74Å; G359-C372 PolarHBondContact N-SG 2.96Å; G359-C372 VanDerWaalsContact N-SG 3.42Å; N368-C372 WeakPolarHBondContact O-CB 3.22Å; N368-C372 PolarHBondContact O-N 3.28Å; C372-A374 VanDerWaalsContact C-N 3.34Å; C372-A374 PolarHBondContact O-N 2.71Å; C372-V375 PolarHBondContact O-N 3.48Å; C372-L376 WeakPolarHBondContact O-CB 3.46Å; C372-L376 WeakPolarHBondContact O-CD1 2.85Å; C372-L376 WeakPolarHBondContact O-CG 3.39Å; C372-L376 PolarHBondContact O-N 3.2Å; C372-F408 HydrophobicContact CB-CE2 4.41Å; C372-F408 HydrophobicContact CB-CZ 4.46Å; C372-F408 WeakPolarHBondContact SG-CZ 3.33Å
373N92.7Very high93.6Very high9 Ų927.3 Ų27.35%0.04815%0.15CC..Hα-helixtrans-65.2-39.8177.4-74.9-37.1000111.6T369 L370 E371 L376 D377 S407 R410T369-N373 WeakPolarHBondContact O-CB 3.48Å; T369-N373 PolarHBondContact O-N 2.97Å; T369-N373 PolarHBondContact O-ND2 3.4Å; L370-N373 PolarHBondContact O-N 2.97Å; E371-N373 VanDerWaalsContact C-N 3.34Å; E371-N373 PolarHBondContact O-N 3.19Å; N373-L376 PolarHBondContact O-N 3Å; N373-D377 VanDerWaalsContact O-CB 3.29Å; N373-D377 WeakPolarHBondContact O-CB 3.49Å; N373-D377 PolarHBondContact O-N 3.25Å; N373-S407 PolarHBondContact OD1-OG 3.42Å; N373-R410 PolarHBondContact OD1-NH2 2.81Å
374A94.4Very high93.9Very high14 Ų1424.8 Ų24.812%0.11614%0.136CC..Hα-helixtrans-61.8-46.8176.900000112.2D328 L332 L370 E371 C372 D377 E378D328-A374 HydrophobicContact CB-CB 4.15Å; L332-A374 HydrophobicContact CD2-CB 4.19Å; L332-A374 WeakPolarHBondContact CD2-O 3.23Å; L370-A374 WeakPolarHBondContact O-CB 2.93Å; L370-A374 PolarHBondContact O-N 2.99Å; E371-A374 PolarHBondContact O-N 2.73Å; C372-A374 VanDerWaalsContact C-N 3.34Å; C372-A374 PolarHBondContact O-N 2.71Å; A374-D377 PolarHBondContact O-N 3.06Å; A374-E378 PolarHBondContact O-N 3.33Å
375V95.9Very high94.4Very high3 Ų320.6 Ų20.62%0.01811%0.109CC..Hα-helixtrans-61.6-46178176.60000111.3Y305 L332 L352 F355 E371 C372 E378 A379Y305-V375 HydrophobicContact CD1-CG2 3.62Å; Y305-V375 HydrophobicContact CE1-CG2 3.64Å; L332-V375 HydrophobicContact CD1-CG2 4.44Å; L332-V375 HydrophobicContact CD2-CG2 4.26Å; L352-V375 HydrophobicContact CD2-CG1 3.86Å; F355-V375 HydrophobicContact CB-CG1 4.2Å; F355-V375 HydrophobicContact CD1-CG1 4.45Å; F355-V375 HydrophobicContact CD2-CB 4.18Å; F355-V375 HydrophobicContact CD2-CG1 3.56Å; F355-V375 HydrophobicContact CE2-CB 4.46Å; F355-V375 HydrophobicContact CE2-CG1 3.97Å; F355-V375 HydrophobicContact CG-CG1 3.82Å; E371-V375 WeakPolarHBondContact O-CG2 3.33Å; E371-V375 PolarHBondContact O-N 3.32Å; C372-V375 PolarHBondContact O-N 3.48Å; V375-E378 PolarHBondContact O-N 2.9Å; V375-A379 WeakPolarHBondContact O-CB 3.37Å; V375-A379 PolarHBondContact O-N 2.9Å
376L95.9Very high94.8Very high0 Ų018 Ų180%09%0.09CC..Hα-helixtrans-66.9-38.4179.1-67.5168.7000112.2F355 C372 N373 A379 D380 W386 F408 R410F355-L376 HydrophobicContact CE2-CD2 4.36Å; F355-L376 HydrophobicContact CZ-CD2 3.88Å; C372-L376 WeakPolarHBondContact O-CB 3.46Å; C372-L376 WeakPolarHBondContact O-CD1 2.85Å; C372-L376 WeakPolarHBondContact O-CG 3.39Å; C372-L376 PolarHBondContact O-N 3.2Å; N373-L376 PolarHBondContact O-N 3Å; L376-A379 PolarHBondContact O-N 3.3Å; L376-D380 WeakPolarHBondContact O-CB 3.32Å; L376-D380 PolarHBondContact O-N 3.12Å; L376-W386 HydrophobicContact CD2-CD2 4.26Å; L376-W386 HydrophobicContact CD2-CH2 4.12Å; L376-W386 HydrophobicContact CD2-CZ2 3.57Å; L376-F408 HydrophobicContact CD1-CD1 4.01Å; L376-F408 HydrophobicContact CD1-CD2 4.35Å; L376-F408 HydrophobicContact CD1-CE1 4.36Å; L376-F408 HydrophobicContact CD1-CG 4.02Å; L376-F408 HydrophobicContact CD2-CD1 4.04Å; L376-F408 HydrophobicContact CD2-CE1 4.39Å; L376-R410 VanDerWaalsContact C-NH1 3.33Å; L376-R410 VanDerWaalsContact CB-NH1 3.31Å; L376-R410 VanDerWaalsContact CB-NH2 3.34Å
377D96.1Very high95.1Very high62 Ų6218 Ų1833%0.3329%0.09SC..Hα-helixtrans-65.5-40.8176.6-70.1-5.6000111.4N373 A374 D380 K381 R410N373-D377 VanDerWaalsContact O-CB 3.29Å; N373-D377 WeakPolarHBondContact O-CB 3.49Å; N373-D377 PolarHBondContact O-N 3.25Å; A374-D377 PolarHBondContact O-N 3.06Å; D377-D380 PolarHBondContact O-N 2.95Å; D377-K381 VanDerWaalsContact O-CB 3.32Å; D377-K381 WeakPolarHBondContact O-CB 3.09Å; D377-K381 PolarHBondContact O-N 3Å; D377-R410 IonicContact OD1-CZ 3.53Å; D377-R410 IonicContact OD1-NH1 3.79Å; D377-R410 PolarHBondContact OD1-NH1 3.16Å; D377-R410 IonicContact OD1-NH2 3.92Å; D377-R410 PolarHBondContact OD1-NH2 3.27Å; D377-R410 VanDerWaalsContact OD1-NH2 3.14Å
378E97.4Very high95.5Very high20 Ų2018 Ų189%0.0939%0.09CC..Hα-helixtrans-68.6-39175.6-170.969.9-171.700111.4L332 T336 A374 V375 K381 H382L332-E378 HydrophobicContact CD1-CB 4.21Å; L332-E378 HydrophobicContact CD1-CG 4.17Å; L332-E378 HydrophobicContact CD2-CB 3.72Å; L332-E378 HydrophobicContact CD2-CG 4.29Å; L332-E378 HydrophobicContact CG-CB 3.91Å; L332-E378 HydrophobicContact CG-CG 3.91Å; T336-E378 HydrophobicContact CG2-CG 4.28Å; T336-E378 WeakPolarHBondContact OG1-CG 3.24Å; A374-E378 PolarHBondContact O-N 3.33Å; V375-E378 PolarHBondContact O-N 2.9Å; E378-K381 PolarHBondContact O-N 3.35Å; E378-K381 IonicContact OE1-NZ 3.46Å; E378-K381 PolarHBondContact OE1-NZ 3.08Å; E378-K381 WeakPolarHBondContact OE2-CD 3.43Å; E378-K381 IonicContact OE2-NZ 3.89Å; E378-K381 PolarHBondContact OE2-NZ 2.88Å; E378-H382 PolarHBondContact O-CD2 2.91Å; E378-H382 PolarHBondContact O-N 2.95Å; E378-H382 IonicContact OE1-CD2 2.78Å; E378-H382 PolarHBondContact OE1-CD2 3.13Å; E378-H382 VanDerWaalsContact OE1-CD2 3.3Å; E378-H382 IonicContact OE1-NE2 3.57Å; E378-H382 PolarHBondContact OE1-NE2 3.06Å; E378-H382 VanDerWaalsContact OE1-NE2 3.16Å
379A97.7Very high95.6Very high6 Ų618.7 Ų18.75%0.059%0.091CC..Hα-helixtrans-60.9-44.8172.900000111.3V375 L376 H382 F383 E384V375-A379 WeakPolarHBondContact O-CB 3.37Å; V375-A379 PolarHBondContact O-N 2.9Å; L376-A379 PolarHBondContact O-N 3.3Å; A379-H382 CarbonylContact O-C 3.51Å; A379-H382 PolarHBondContact O-N 3.28Å; A379-F383 PolarHBondContact O-N 3.4Å; A379-E384 HydrophobicContact CB-CB 4.02Å; A379-E384 PolarHBondContact O-N 3.11Å
380D97.4Very high94.8Very high4 Ų421.6 Ų21.62%0.02111%0.106CC..Hα-helixtrans-61.2-49.7178.3-72.3-14.9000111.3R47 L376 D377 H382 F383 R410 Q423R47-D380 IonicContact CZ-OD1 3.5Å; R47-D380 IonicContact NH2-OD1 2.95Å; R47-D380 PolarHBondContact NH2-OD1 3.19Å; R47-D380 IonicContact NH2-OD2 3.33Å; L376-D380 WeakPolarHBondContact O-CB 3.32Å; L376-D380 PolarHBondContact O-N 3.12Å; D377-D380 PolarHBondContact O-N 2.95Å; D380-H382 PolarHBondContact O-N 3.31Å; D380-H382 VanDerWaalsContact O-N 3.09Å; D380-F383 PolarHBondContact O-N 3.18Å; D380-F383 VanDerWaalsContact O-N 3.08Å; D380-R410 IonicContact OD2-NH1 2.67Å; D380-R410 PolarHBondContact OD2-NH1 3.43Å; D380-Q423 HydrophobicContact CB-CG 4.34Å; D380-Q423 WeakPolarHBondContact O-CG 3.16Å; D380-Q423 PolarHBondContact O-NE2 2.55Å
381K97.3Very high94Very high111 Ų11120.4 Ų20.448%0.48310%0.102SC..Hα-helixtrans-53.5-31.3177.2174.4-171.6166.7-149.20113.3D377 E378D377-K381 VanDerWaalsContact O-CB 3.32Å; D377-K381 WeakPolarHBondContact O-CB 3.09Å; D377-K381 PolarHBondContact O-N 3Å; E378-K381 PolarHBondContact O-N 3.35Å; E378-K381 IonicContact OE1-NZ 3.46Å; E378-K381 PolarHBondContact OE1-NZ 3.08Å; E378-K381 WeakPolarHBondContact OE2-CD 3.43Å; E378-K381 IonicContact OE2-NZ 3.89Å; E378-K381 PolarHBondContact OE2-NZ 2.88Å
382H97.5Very high93.6Very high51 Ų5126 Ų2624%0.23612%0.124CC..Hα-helixtrans-105.45.2-177.6-73.1-70.3000114.8T336 R350 E378 A379 D380 E384T336-H382 HydrophobicContact CG2-CB 4.32Å; T336-H382 VanDerWaalsContact CG2-CD2 3.45Å; T336-H382 WeakPolarHBondContact CG2-CD2 3.43Å; R350-H382 PolarHBondContact NH2-O 2.89Å; E378-H382 PolarHBondContact O-CD2 2.91Å; E378-H382 PolarHBondContact O-N 2.95Å; E378-H382 IonicContact OE1-CD2 2.78Å; E378-H382 PolarHBondContact OE1-CD2 3.13Å; E378-H382 VanDerWaalsContact OE1-CD2 3.3Å; E378-H382 IonicContact OE1-NE2 3.57Å; E378-H382 PolarHBondContact OE1-NE2 3.06Å; E378-H382 VanDerWaalsContact OE1-NE2 3.16Å; A379-H382 CarbonylContact O-C 3.51Å; A379-H382 PolarHBondContact O-N 3.28Å; D380-H382 PolarHBondContact O-N 3.31Å; D380-H382 VanDerWaalsContact O-N 3.09Å; H382-E384 PolarHBondContact O-N 2.85Å
383F97.8Very high93.5Very high18 Ų1826 Ų268%0.07912%0.124CC..THydrogen-bonded Turntrans49.942.4-172.7-59.7-88000111.5L45 A379 D380 P413 F420 K422 Q423 F434L45-F383 HydrophobicContact CD1-CB 4.47Å; L45-F383 WeakPolarHBondContact CD1-O 3.34Å; A379-F383 PolarHBondContact O-N 3.4Å; D380-F383 PolarHBondContact O-N 3.18Å; D380-F383 VanDerWaalsContact O-N 3.08Å; F383-P413 HydrophobicContact CD1-CG 4.4Å; F383-P413 HydrophobicContact CE1-CG 4.32Å; F383-F420 HydrophobicContact CB-CD2 3.59Å; F383-F420 HydrophobicContact CB-CE2 3.9Å; F383-F420 HydrophobicContact CB-CG 4.48Å; F383-F420 HydrophobicContact CD1-CB 4.06Å; F383-F420 HydrophobicContact CD1-CD1 4.06Å; F383-F420 AromaticContact CD1-CD2 3.43Å; F383-F420 HydrophobicContact CD1-CD2 3.43Å; F383-F420 VanDerWaalsContact CD1-CD2 3.43Å; F383-F420 HydrophobicContact CD1-CE1 4.33Å; F383-F420 AromaticContact CD1-CE2 3.75Å; F383-F420 HydrophobicContact CD1-CE2 3.75Å; F383-F420 AromaticContact CD1-CG 3.6Å; F383-F420 HydrophobicContact CD1-CG 3.6Å; F383-F420 HydrophobicContact CD1-CZ 4.2Å; F383-F420 HydrophobicContact CD2-CB 3.69Å; F383-F420 AromaticContact CD2-CD2 3.96Å; F383-F420 HydrophobicContact CD2-CD2 3.96Å; F383-F420 HydrophobicContact CD2-CG 4.08Å; F383-F420 HydrophobicContact CE1-CB 3.87Å; F383-F420 AromaticContact CE1-CD1 3.88Å; F383-F420 HydrophobicContact CE1-CD1 3.88Å; F383-F420 HydrophobicContact CE1-CD2 4.03Å; F383-F420 HydrophobicContact CE1-CE1 4.39Å; F383-F420 AromaticContact CE1-CG 3.68Å; F383-F420 HydrophobicContact CE1-CG 3.68Å; F383-F420 HydrophobicContact CE2-CB 3.5Å; F383-F420 HydrophobicContact CE2-CG 4.16Å; F383-F420 HydrophobicContact CG-CB 3.96Å; F383-F420 AromaticContact CG-CD2 3.38Å; F383-F420 HydrophobicContact CG-CD2 3.38Å; F383-F420 AromaticContact CG-CE2 3.97Å; F383-F420 HydrophobicContact CG-CE2 3.97Å; F383-F420 AromaticContact CG-CG 3.79Å; F383-F420 HydrophobicContact CG-CG 3.79Å; F383-F420 HydrophobicContact CZ-CB 3.57Å; F383-F420 HydrophobicContact CZ-CD1 4.36Å; F383-F420 AromaticContact CZ-CG 3.95Å; F383-F420 HydrophobicContact CZ-CG 3.95Å; F383-K422 VanDerWaalsContact CZ-C 3.42Å; F383-Q423 HydrophobicContact CD1-CG 4.09Å; F383-Q423 VanDerWaalsContact CD1-NE2 3.34Å; F383-Q423 HydrophobicContact CE1-CB 3.8Å; F383-Q423 HydrophobicContact CE1-CG 3.55Å; F383-Q423 HydrophobicContact CE2-CG 4.46Å; F383-Q423 HydrophobicContact CZ-CB 3.87Å; F383-Q423 HydrophobicContact CZ-CG 3.77Å; F383-F434 HydrophobicContact CE1-CD2 4.03Å; F383-F434 AromaticContact CE1-CE2 3.73Å; F383-F434 HydrophobicContact CE1-CE2 3.73Å; F383-F434 HydrophobicContact CZ-CD2 4.36Å; F383-F434 HydrophobicContact CZ-CE2 4.17Å
384E98.1Very high93.4Very high5 Ų526.6 Ų26.62%0.02313%0.127CC..  trans-81.9129.6-177.9-161.968-15400109.7Y303 R350 F351 L352 A379 H382Y303-E384 WeakPolarHBondContact CE1-OE1 3.44Å; Y303-E384 VanDerWaalsContact OH-CD 3.25Å; Y303-E384 VanDerWaalsContact OH-CG 3.27Å; Y303-E384 WeakPolarHBondContact OH-CG 3.42Å; Y303-E384 PolarHBondContact OH-OE1 3.41Å; R350-E384 WeakPolarHBondContact CB-OE1 3.37Å; R350-E384 WeakPolarHBondContact CD-OE1 3.5Å; R350-E384 VanDerWaalsContact CD-OE2 3.31Å; R350-E384 WeakPolarHBondContact CD-OE2 3.39Å; R350-E384 WeakPolarHBondContact CG-OE1 3.47Å; R350-E384 IonicContact CZ-OE2 3.67Å; R350-E384 IonicContact NE-OE1 2.85Å; R350-E384 IonicContact NE-OE2 3.3Å; R350-E384 PolarHBondContact NE-OE2 3.49Å; R350-E384 IonicContact NH2-OE2 2.57Å; F351-E384 PolarHBondContact N-OE1 3.26Å; L352-E384 HydrophobicContact CB-CG 4.15Å; A379-E384 HydrophobicContact CB-CB 4.02Å; A379-E384 PolarHBondContact O-N 3.11Å; H382-E384 PolarHBondContact O-N 2.85Å
385S98.7Very high93.2Very high2 Ų228.8 Ų28.81%0.01414%0.137CC..  trans-76.9144.6169.2-64.60000110.1L45 F46 L352L45-S385 WeakPolarHBondContact CD1-OG 3.44Å; F46-S385 PolarHBondContact N-OG 3.4Å; F46-S385 CarbonylContact O-C 3.53Å; F46-S385 WeakPolarHBondContact O-CA 3.44Å; F46-S385 WeakPolarHBondContact O-CB 3.33Å; L352-S385 PolarHBondContact N-O 2.91Å
386W98.4Very high92.8Very high1 Ų137.3 Ų37.30%0.00418%0.183CC..EExtended strand (participates in β ladder)trans-146.5153.6-174.158.1-104.2000115.3F46 R47 G48 L77 L352 F355 L376 F388 F408F46-W386 PolarHBondContact O-N 2.87Å; R47-W386 WeakPolarHBondContact CA-O 3.22Å; R47-W386 HydrophobicContact CB-CD2 4.33Å; R47-W386 HydrophobicContact CB-CH2 4.07Å; R47-W386 HydrophobicContact CB-CZ2 3.79Å; R47-W386 HydrophobicContact CB-CZ3 4.47Å; R47-W386 HydrophobicContact CG-CD2 4.24Å; R47-W386 HydrophobicContact CG-CZ2 3.77Å; G48-W386 PolarHBondContact N-O 3.07Å; G48-W386 WeakPolarHBondContact O-CZ3 3.5Å; L77-W386 HydrophobicContact CD2-CH2 4.5Å; L352-W386 HydrophobicContact CB-CB 3.98Å; L352-W386 HydrophobicContact CD2-CB 4.11Å; L352-W386 HydrophobicContact CG-CB 4.24Å; L352-W386 CarbonylContact O-C 3.48Å; L352-W386 WeakPolarHBondContact O-CA 3.29Å; F355-W386 HydrophobicContact CE1-CB 3.97Å; F355-W386 HydrophobicContact CE1-CD2 4.01Å; F355-W386 AromaticContact CE1-CE3 3.7Å; F355-W386 HydrophobicContact CE1-CE3 3.7Å; F355-W386 HydrophobicContact CE1-CG 4.16Å; F355-W386 HydrophobicContact CZ-CD2 4.27Å; F355-W386 AromaticContact CZ-CE3 3.96Å; F355-W386 HydrophobicContact CZ-CE3 3.96Å; F355-W386 HydrophobicContact CZ-CZ3 4.39Å; L376-W386 HydrophobicContact CD2-CD2 4.26Å; L376-W386 HydrophobicContact CD2-CH2 4.12Å; L376-W386 HydrophobicContact CD2-CZ2 3.57Å; W386-F388 HydrophobicContact CZ3-CB 4.43Å; W386-F408 HydrophobicContact CH2-CB 4.41Å; W386-F408 AromaticContact CH2-CD1 3.84Å; W386-F408 HydrophobicContact CH2-CD1 3.84Å; W386-F408 HydrophobicContact CZ3-CD1 4.01Å
387T98.4Very high92.5Very high0 Ų041.1 Ų41.10%021%0.214CC..EExtended strand (participates in β ladder)trans-131125.116938.70000111.1G48 N50 V79 R81 F351 L352 T353 E354G48-T387 WeakPolarHBondContact O-CA 3.3Å; N50-T387 PolarHBondContact ND2-O 3.28Å; V79-T387 HydrophobicContact CG1-CG2 3.75Å; R81-T387 HydrophobicContact CB-CG2 4.08Å; F351-T387 HydrophobicContact CE1-CG2 4.01Å; F351-T387 HydrophobicContact CZ-CG2 4.27Å; L352-T387 PolarHBondContact O-N 3.29Å; T353-T387 CarbonylContact C-O 3.56Å; T353-T387 VanDerWaalsContact CA-OG1 3.3Å; T353-T387 WeakPolarHBondContact CA-OG1 3.28Å; T353-T387 PolarHBondContact O-OG1 3.43Å; E354-T387 WeakPolarHBondContact CA-O 3.35Å
388F96.7Very high92.1Very high4 Ų439.3 Ų39.32%0.01821%0.209CC..EExtended strand (participates in β ladder)trans-79.9131.7178.2177.7-132.4000111.8G48 F49 N50 F355 C358 W386 D390 F393 F408G48-F388 PolarHBondContact O-N 3.19Å; F49-F388 CarbonylContact C-O 3.58Å; F49-F388 VanDerWaalsContact CA-O 3.24Å; F49-F388 WeakPolarHBondContact CA-O 3Å; F49-F388 HydrophobicContact CB-CB 4.39Å; F49-F388 WeakPolarHBondContact CB-O 3.2Å; N50-F388 PolarHBondContact N-O 3.34Å; N50-F388 PolarHBondContact ND2-O 2.94Å; F355-F388 HydrophobicContact CD2-CD2 4.35Å; F355-F388 HydrophobicContact CE1-CB 4.18Å; F355-F388 HydrophobicContact CE2-CD2 4.1Å; F355-F388 HydrophobicContact CZ-CB 4.16Å; F355-F388 HydrophobicContact CZ-CD2 4.29Å; F355-F388 VanDerWaalsContact O-CD2 3.27Å; F355-F388 WeakPolarHBondContact O-CD2 3.43Å; C358-F388 WeakPolarHBondContact O-CZ 3.48Å; W386-F388 HydrophobicContact CZ3-CB 4.43Å; F388-D390 PolarHBondContact O-N 2.92Å; F388-F393 HydrophobicContact CD1-CE1 4.34Å; F388-F393 HydrophobicContact CD1-CZ 4.03Å; F388-F408 HydrophobicContact CB-CE1 3.92Å; F388-F408 AromaticContact CD1-CE1 3.91Å; F388-F408 HydrophobicContact CD1-CE1 3.91Å; F388-F408 AromaticContact CD1-CZ 3.97Å; F388-F408 HydrophobicContact CD1-CZ 3.97Å; F388-F408 AromaticContact CD2-CE1 3.74Å; F388-F408 HydrophobicContact CD2-CE1 3.74Å; F388-F408 AromaticContact CD2-CZ 3.74Å; F388-F408 HydrophobicContact CD2-CZ 3.74Å; F388-F408 HydrophobicContact CE1-CE1 4.36Å; F388-F408 AromaticContact CE1-CZ 3.94Å; F388-F408 HydrophobicContact CE1-CZ 3.94Å; F388-F408 HydrophobicContact CE2-CE1 4.2Å; F388-F408 AromaticContact CE2-CZ 3.71Å; F388-F408 HydrophobicContact CE2-CZ 3.71Å; F388-F408 AromaticContact CG-CE1 3.6Å; F388-F408 HydrophobicContact CG-CE1 3.6Å; F388-F408 AromaticContact CG-CZ 3.9Å; F388-F408 HydrophobicContact CG-CZ 3.9Å; F388-F408 AromaticContact CZ-CZ 3.83Å; F388-F408 HydrophobicContact CZ-CZ 3.83Å
389W91.7Very high91.9Very high38 Ų3842.6 Ų42.614%0.14423%0.228CC..SBendtrans-55.2-35.8-167.9175.4-122.8000116.2N50 V52 H123 Y306 E354 F355N50-W389 HydrophobicContact CB-CE3 3.93Å; N50-W389 HydrophobicContact CB-CZ3 4.25Å; N50-W389 WeakPolarHBondContact CB-O 3.39Å; V52-W389 HydrophobicContact CB-CH2 4.1Å; V52-W389 HydrophobicContact CB-CZ3 4.32Å; V52-W389 HydrophobicContact CG1-CH2 4.32Å; V52-W389 HydrophobicContact CG2-CH2 4.22Å; V52-W389 HydrophobicContact CG2-CZ3 3.96Å; H123-W389 AromaticContact CE1-CH2 3.07Å; H123-W389 WeakPolarHBondContact CE1-CH2 3.49Å; H123-W389 AromaticContact CE1-CZ3 3.11Å; H123-W389 WeakPolarHBondContact CE1-CZ3 3.12Å; H123-W389 AromaticContact ND1-CZ3 3.86Å; H123-W389 AromaticContact NE2-CH2 3.07Å; H123-W389 WeakPolarHBondContact NE2-CH2 2.88Å; H123-W389 AromaticContact NE2-CZ2 3.96Å; H123-W389 AromaticContact NE2-CZ3 3.67Å; Y306-W389 WeakPolarHBondContact OH-CB 3.37Å; E354-W389 HydrophobicContact CG-CB 3.61Å; E354-W389 HydrophobicContact CG-CD2 4.08Å; E354-W389 HydrophobicContact CG-CE3 3.8Å; E354-W389 HydrophobicContact CG-CG 4.02Å; F355-W389 PolarHBondContact O-N 3.12Å
390D73.7Confident91.8Very high66 Ų6644 Ų4435%0.35324%0.236SC..SBendtrans-117.9-12.8-176-77.9-43.3000114F388 Y392F388-D390 PolarHBondContact O-N 2.92Å; D390-Y392 HydrophobicContact CB-CD1 4Å; D390-Y392 HydrophobicContact CB-CD2 3.42Å; D390-Y392 VanDerWaalsContact CB-CD2 3.42Å; D390-Y392 HydrophobicContact CB-CE1 3.77Å; D390-Y392 HydrophobicContact CB-CE2 3.15Å; D390-Y392 HydrophobicContact CB-CG 3.82Å; D390-Y392 PolarHBondContact O-N 2.75Å; D390-Y392 VanDerWaalsContact O-N 3.12Å; D390-Y392 PolarHBondContact OD1-OH 3.12Å; D390-Y392 WeakPolarHBondContact OD2-CE2 3.31Å; D390-Y392 PolarHBondContact OD2-OH 2.84Å; D390-Y392 VanDerWaalsContact OD2-OH 3.09Å
391G74.9Confident91.6Very high9 Ų946.1 Ų46.19%0.09325%0.247CC..  trans5632.6179.500000113.7F49 F393F49-G391 VanDerWaalsContact CB-CA 3.46Å; G391-F393 WeakPolarHBondContact O-CD2 3.27Å; G391-F393 PolarHBondContact O-N 2.65Å
392Y82.6Confident91.3Very high122 Ų12247.1 Ų47.148%0.47825%0.254SS..THydrogen-bonded Turntrans-65.639.1-178.5-66.3-46.2000114.5D390 I394 I401 Q404D390-Y392 HydrophobicContact CB-CD1 4Å; D390-Y392 HydrophobicContact CB-CD2 3.42Å; D390-Y392 VanDerWaalsContact CB-CD2 3.42Å; D390-Y392 HydrophobicContact CB-CE1 3.77Å; D390-Y392 HydrophobicContact CB-CE2 3.15Å; D390-Y392 HydrophobicContact CB-CG 3.82Å; D390-Y392 PolarHBondContact O-N 2.75Å; D390-Y392 VanDerWaalsContact O-N 3.12Å; D390-Y392 PolarHBondContact OD1-OH 3.12Å; D390-Y392 WeakPolarHBondContact OD2-CE2 3.31Å; D390-Y392 PolarHBondContact OD2-OH 2.84Å; D390-Y392 VanDerWaalsContact OD2-OH 3.09Å; Y392-I394 PolarHBondContact O-N 2.71Å; Y392-I401 WeakPolarHBondContact O-CD1 3.31Å; Y392-Q404 PolarHBondContact O-NE2 3.38Å; Y392-Q404 PolarHBondContact O-OE1 3.38Å
393F90.3Very high91Very high0 Ų046.9 Ų46.90%026%0.256CS..THydrogen-bonded Turntrans-70.4-18.1172.5-53.8-57000112.6F49 F72 W75 L77 F388 G391 P400 I401 V405 F408F49-F393 HydrophobicContact CB-CE2 3.99Å; F49-F393 HydrophobicContact CD1-CD2 4.41Å; F49-F393 HydrophobicContact CD1-CE2 4.02Å; F49-F393 HydrophobicContact CG-CE2 4.18Å; F72-F393 HydrophobicContact CE1-CD2 4.41Å; W75-F393 HydrophobicContact CE3-CB 4.15Å; W75-F393 HydrophobicContact CH2-CB 4.2Å; W75-F393 HydrophobicContact CZ3-CB 3.5Å; W75-F393 VanDerWaalsContact CZ3-CB 3.5Å; W75-F393 HydrophobicContact CZ3-CG 4.34Å; L77-F393 HydrophobicContact CD1-CD2 3.85Å; L77-F393 HydrophobicContact CD1-CE2 3.6Å; L77-F393 HydrophobicContact CD1-CZ 4.34Å; F388-F393 HydrophobicContact CD1-CE1 4.34Å; F388-F393 HydrophobicContact CD1-CZ 4.03Å; G391-F393 WeakPolarHBondContact O-CD2 3.27Å; G391-F393 PolarHBondContact O-N 2.65Å; F393-P400 CarbonylContact O-C 3.51Å; F393-P400 WeakPolarHBondContact O-CA 3.35Å; F393-I401 PolarHBondContact O-N 3.32Å; F393-V405 HydrophobicContact CB-CG2 4.41Å; F393-F408 HydrophobicContact CD1-CB 4.49Å; F393-F408 HydrophobicContact CE1-CB 3.58Å; F393-F408 AromaticContact CE1-CD1 3.89Å; F393-F408 HydrophobicContact CE1-CD1 3.89Å; F393-F408 HydrophobicContact CE1-CD2 4.03Å; F393-F408 AromaticContact CE1-CG 3.59Å; F393-F408 HydrophobicContact CE1-CG 3.59Å; F393-F408 HydrophobicContact CZ-CB 4.24Å; F393-F408 HydrophobicContact CZ-CD1 4.07Å; F393-F408 HydrophobicContact CZ-CG 4.22Å
394I91.4Very high90.6Very high22 Ų2247.1 Ų47.111%0.11326%0.257CS..BIsolated β-bridgetrans-129.8133.6-172.7-54.7-177.2000109.3Q68 M71 F72 W75 Y392 G398 N399Q68-I394 HydrophobicContact CB-CD1 3.72Å; Q68-I394 HydrophobicContact CG-CD1 3.62Å; M71-I394 HydrophobicContact SD-CD1 3.96Å; F72-I394 HydrophobicContact CD1-CD1 4.44Å; F72-I394 HydrophobicContact CE1-CD1 3.51Å; F72-I394 HydrophobicContact CE1-CG1 4.08Å; F72-I394 HydrophobicContact CZ-CD1 3.71Å; W75-I394 HydrophobicContact CH2-CD1 4.27Å; W75-I394 HydrophobicContact CH2-CG1 3.87Å; W75-I394 HydrophobicContact CZ3-CD1 4.2Å; W75-I394 HydrophobicContact CZ3-CG1 3.94Å; Y392-I394 PolarHBondContact O-N 2.71Å; I394-G398 VanDerWaalsContact CG2-CA 3.49Å; I394-N399 CarbonylContact C-O 3.6Å; I394-N399 WeakPolarHBondContact CA-O 3.25Å
395D90.2Very high90.4Very high61 Ų6147 Ų4733%0.32626%0.257SS..  trans-78173.4176.372.518.3000112.7A397 G398 N399 I401D395-A397 PolarHBondContact O-N 3.18Å; D395-A397 VanDerWaalsContact O-N 3.11Å; D395-A397 VanDerWaalsContact OD1-C 3.28Å; D395-A397 VanDerWaalsContact OD1-CA 3.27Å; D395-A397 WeakPolarHBondContact OD1-CA 3.19Å; D395-A397 WeakPolarHBondContact OD1-CB 3.32Å; D395-A397 PolarHBondContact OD1-N 3.29Å; D395-G398 PolarHBondContact O-N 2.92Å; D395-G398 PolarHBondContact OD1-N 3.11Å; D395-N399 PolarHBondContact N-O 2.9Å; D395-N399 PolarHBondContact OD1-N 2.99Å; D395-I401 HydrophobicContact CB-CD1 4.19Å; D395-I401 HydrophobicContact CB-CG1 4.04Å
396N86.6Confident90Very high182 Ų18253 Ų5397%0.97328%0.279SS*.THydrogen-bonded Turntrans-63-17.9179.1-67.5-23.2000113.9G398N396-G398 VanDerWaalsContact C-N 3.33Å
397A89.4Confident89.6Confident80 Ų8053 Ų5366%0.66128%0.28SS*.THydrogen-bonded Turntrans-89.7-0.8175.300000112.5D395 N399D395-A397 PolarHBondContact O-N 3.18Å; D395-A397 VanDerWaalsContact O-N 3.11Å; D395-A397 VanDerWaalsContact OD1-C 3.28Å; D395-A397 VanDerWaalsContact OD1-CA 3.27Å; D395-A397 WeakPolarHBondContact OD1-CA 3.19Å; D395-A397 WeakPolarHBondContact OD1-CB 3.32Å; D395-A397 PolarHBondContact OD1-N 3.29Å; A397-N399 WeakPolarHBondContact CB-ND2 3.33Å
398G88.9Confident89.4Confident23 Ų2353.1 Ų53.124%0.23728%0.28CS..SBendtrans83.913.2-179.500000114.2I394 D395 N396I394-G398 VanDerWaalsContact CG2-CA 3.49Å; D395-G398 PolarHBondContact O-N 2.92Å; D395-G398 PolarHBondContact OD1-N 3.11Å; N396-G398 VanDerWaalsContact C-N 3.33Å
399N93.3Very high89.3Confident89 Ų8953 Ų5348%0.47628%0.28SS..  trans-95.5147.3179.2-53.7-68.9000111.7I394 D395 A397 I401I394-N399 CarbonylContact C-O 3.6Å; I394-N399 WeakPolarHBondContact CA-O 3.25Å; D395-N399 PolarHBondContact N-O 2.9Å; D395-N399 PolarHBondContact OD1-N 2.99Å; A397-N399 WeakPolarHBondContact CB-ND2 3.33Å; N399-I401 PolarHBondContact O-N 3.46Å
400P93.9Very high89.5Confident36 Ų3651.2 Ų51.223%0.23427%0.273CS..BIsolated β-bridgetrans-61.7130.4173.7-23.934.8000113.2M71 W75 F393 Q402 V405M71-P400 HydrophobicContact CE-CG 4.4Å; M71-P400 HydrophobicContact SD-CG 4.26Å; W75-P400 HydrophobicContact CH2-CB 3.88Å; W75-P400 HydrophobicContact CH2-CG 4.01Å; W75-P400 HydrophobicContact CZ2-CB 3.64Å; W75-P400 HydrophobicContact CZ2-CG 3.67Å; F393-P400 CarbonylContact O-C 3.51Å; F393-P400 WeakPolarHBondContact O-CA 3.35Å; P400-Q402 PolarHBondContact O-N 3.37Å; P400-Q402 VanDerWaalsContact O-N 3.12Å; P400-V405 HydrophobicContact CB-CG2 4.17Å
401I93.4Very high90.7Very high48 Ų4848.1 Ų48.125%0.24626%0.256CS..  trans-78.395.5168.8-63.8167.4000107.5Y392 F393 D395 N399 T403 Q404 V405Y392-I401 WeakPolarHBondContact O-CD1 3.31Å; F393-I401 PolarHBondContact O-N 3.32Å; D395-I401 HydrophobicContact CB-CD1 4.19Å; D395-I401 HydrophobicContact CB-CG1 4.04Å; N399-I401 PolarHBondContact O-N 3.46Å; I401-T403 VanDerWaalsContact C-N 3.28Å; I401-T403 PolarHBondContact O-N 3.16Å; I401-Q404 HydrophobicContact CB-CB 4.38Å; I401-Q404 HydrophobicContact CB-CG 4.49Å; I401-Q404 HydrophobicContact CG2-CB 4.09Å; I401-Q404 HydrophobicContact CG2-CG 3.81Å; I401-Q404 PolarHBondContact O-N 3.11Å; I401-Q404 VanDerWaalsContact O-N 3.13Å; I401-V405 WeakPolarHBondContact O-CG2 3.43Å; I401-V405 PolarHBondContact O-N 3.04Å
402Q92.1Very high91.8Very high132 Ų13247.8 Ų47.862%0.61725%0.252SS*.Hα-helixtrans-57-36.7-166.4-65-62-23.300114.3P400 R406P400-Q402 PolarHBondContact O-N 3.37Å; P400-Q402 VanDerWaalsContact O-N 3.12Å; Q402-R406 VanDerWaalsContact O-CB 3.25Å; Q402-R406 WeakPolarHBondContact O-CB 3.19Å; Q402-R406 PolarHBondContact O-N 3.26Å
403T90.1Very high92.5Very high47 Ų4742 Ų4229%0.28823%0.229SC..Hα-helixtrans-65.7-48.9178.349.70000111D360 I401 R406 S407D360-T403 WeakPolarHBondContact O-CB 3.46Å; D360-T403 PolarHBondContact O-OG1 2.93Å; I401-T403 VanDerWaalsContact C-N 3.28Å; I401-T403 PolarHBondContact O-N 3.16Å; T403-R406 PolarHBondContact O-N 2.86Å; T403-S407 PolarHBondContact O-N 3.04Å; T403-S407 VanDerWaalsContact O-N 3.08Å
404Q90.4Very high92.9Very high23 Ų2343.4 Ų43.411%0.10724%0.236CC..Hα-helixtrans-62.4-46.4175.7-66.8-166.538.400111.9Y392 I401 R406 S407 F408Y392-Q404 PolarHBondContact O-NE2 3.38Å; Y392-Q404 PolarHBondContact O-OE1 3.38Å; I401-Q404 HydrophobicContact CB-CB 4.38Å; I401-Q404 HydrophobicContact CB-CG 4.49Å; I401-Q404 HydrophobicContact CG2-CB 4.09Å; I401-Q404 HydrophobicContact CG2-CG 3.81Å; I401-Q404 PolarHBondContact O-N 3.11Å; I401-Q404 VanDerWaalsContact O-N 3.13Å; Q404-R406 VanDerWaalsContact C-N 3.27Å; Q404-R406 PolarHBondContact O-N 3.37Å; Q404-S407 PolarHBondContact O-N 2.81Å; Q404-S407 VanDerWaalsContact O-N 3.13Å; Q404-F408 VanDerWaalsContact O-CD2 3.29Å; Q404-F408 WeakPolarHBondContact O-CD2 3.46Å; Q404-F408 PolarHBondContact O-N 2.86Å
405V92.7Very high93.2Very high2 Ų242.5 Ų42.51%0.01223%0.232CC..Hα-helixtrans-56.8-43.9176.4171.30000110.6W75 F393 P400 I401 S407 I409 V461W75-V405 HydrophobicContact CD2-CG2 4.46Å; W75-V405 HydrophobicContact CH2-CG2 3.87Å; W75-V405 HydrophobicContact CZ2-CG1 4.41Å; W75-V405 HydrophobicContact CZ2-CG2 3.74Å; W75-V405 HydrophobicContact CZ3-CG2 4.28Å; F393-V405 HydrophobicContact CB-CG2 4.41Å; P400-V405 HydrophobicContact CB-CG2 4.17Å; I401-V405 WeakPolarHBondContact O-CG2 3.43Å; I401-V405 PolarHBondContact O-N 3.04Å; V405-S407 VanDerWaalsContact C-N 3.34Å; V405-S407 PolarHBondContact O-N 3.18Å; V405-I409 HydrophobicContact CB-CG1 4.44Å; V405-I409 HydrophobicContact CG1-CB 4.33Å; V405-I409 HydrophobicContact CG1-CG1 3.86Å; V405-I409 WeakPolarHBondContact O-CB 3.45Å; V405-I409 WeakPolarHBondContact O-CG1 3.25Å; V405-I409 PolarHBondContact O-N 3.45Å; V405-V461 HydrophobicContact CG1-CG1 4.16Å; V405-V461 HydrophobicContact CG1-CG2 3.72Å
406R90.6Very high93.5Very high127 Ų12739.6 Ų39.648%0.47922%0.216SC..Hα-helixtrans-64.6-33.1178.6-174178.1177.1-177.7-0.9113.7Q402 T403 Q404 V461 H462Q402-R406 VanDerWaalsContact O-CB 3.25Å; Q402-R406 WeakPolarHBondContact O-CB 3.19Å; Q402-R406 PolarHBondContact O-N 3.26Å; T403-R406 PolarHBondContact O-N 2.86Å; Q404-R406 VanDerWaalsContact C-N 3.27Å; Q404-R406 PolarHBondContact O-N 3.37Å; R406-V461 HydrophobicContact CB-CG1 4.36Å; R406-H462 PolarHBondContact O-CE1 3.39Å; R406-H462 PolarHBondContact O-NE2 2.85Å; R406-H462 VanDerWaalsContact O-NE2 3.12Å
407S90.2Very high93.9Very high2 Ų231.8 Ų31.81%0.01417%0.174CC..Hα-helixtrans-79.2-44.3179.3174.50000112.3N373 T403 Q404 V405 R410N373-S407 PolarHBondContact OD1-OG 3.42Å; T403-S407 PolarHBondContact O-N 3.04Å; T403-S407 VanDerWaalsContact O-N 3.08Å; Q404-S407 PolarHBondContact O-N 2.81Å; Q404-S407 VanDerWaalsContact O-N 3.13Å; V405-S407 VanDerWaalsContact C-N 3.34Å; V405-S407 PolarHBondContact O-N 3.18Å; S407-R410 WeakPolarHBondContact O-CG 3.35Å; S407-R410 PolarHBondContact O-NE 3.31Å
408F93.8Very high94.2Very high2 Ų228.1 Ų28.11%0.00915%0.145CC..Hα-helixtrans-86.2-30.1-172.4-76-103.7000114F355 C372 L376 W386 F388 F393 Q404 R410F355-F408 AromaticContact CE2-CE1 3.72Å; F355-F408 HydrophobicContact CE2-CE1 3.72Å; F355-F408 HydrophobicContact CE2-CZ 4.21Å; F355-F408 HydrophobicContact CZ-CD1 4.34Å; F355-F408 AromaticContact CZ-CE1 3.62Å; F355-F408 HydrophobicContact CZ-CE1 3.62Å; C372-F408 HydrophobicContact CB-CE2 4.41Å; C372-F408 HydrophobicContact CB-CZ 4.46Å; C372-F408 WeakPolarHBondContact SG-CZ 3.33Å; L376-F408 HydrophobicContact CD1-CD1 4.01Å; L376-F408 HydrophobicContact CD1-CD2 4.35Å; L376-F408 HydrophobicContact CD1-CE1 4.36Å; L376-F408 HydrophobicContact CD1-CG 4.02Å; L376-F408 HydrophobicContact CD2-CD1 4.04Å; L376-F408 HydrophobicContact CD2-CE1 4.39Å; W386-F408 HydrophobicContact CH2-CB 4.41Å; W386-F408 AromaticContact CH2-CD1 3.84Å; W386-F408 HydrophobicContact CH2-CD1 3.84Å; W386-F408 HydrophobicContact CZ3-CD1 4.01Å; F388-F408 HydrophobicContact CB-CE1 3.92Å; F388-F408 AromaticContact CD1-CE1 3.91Å; F388-F408 HydrophobicContact CD1-CE1 3.91Å; F388-F408 AromaticContact CD1-CZ 3.97Å; F388-F408 HydrophobicContact CD1-CZ 3.97Å; F388-F408 AromaticContact CD2-CE1 3.74Å; F388-F408 HydrophobicContact CD2-CE1 3.74Å; F388-F408 AromaticContact CD2-CZ 3.74Å; F388-F408 HydrophobicContact CD2-CZ 3.74Å; F388-F408 HydrophobicContact CE1-CE1 4.36Å; F388-F408 AromaticContact CE1-CZ 3.94Å; F388-F408 HydrophobicContact CE1-CZ 3.94Å; F388-F408 HydrophobicContact CE2-CE1 4.2Å; F388-F408 AromaticContact CE2-CZ 3.71Å; F388-F408 HydrophobicContact CE2-CZ 3.71Å; F388-F408 AromaticContact CG-CE1 3.6Å; F388-F408 HydrophobicContact CG-CE1 3.6Å; F388-F408 AromaticContact CG-CZ 3.9Å; F388-F408 HydrophobicContact CG-CZ 3.9Å; F388-F408 AromaticContact CZ-CZ 3.83Å; F388-F408 HydrophobicContact CZ-CZ 3.83Å; F393-F408 HydrophobicContact CD1-CB 4.49Å; F393-F408 HydrophobicContact CE1-CB 3.58Å; F393-F408 AromaticContact CE1-CD1 3.89Å; F393-F408 HydrophobicContact CE1-CD1 3.89Å; F393-F408 HydrophobicContact CE1-CD2 4.03Å; F393-F408 AromaticContact CE1-CG 3.59Å; F393-F408 HydrophobicContact CE1-CG 3.59Å; F393-F408 HydrophobicContact CZ-CB 4.24Å; F393-F408 HydrophobicContact CZ-CD1 4.07Å; F393-F408 HydrophobicContact CZ-CG 4.22Å; Q404-F408 VanDerWaalsContact O-CD2 3.29Å; Q404-F408 WeakPolarHBondContact O-CD2 3.46Å; Q404-F408 PolarHBondContact O-N 2.86Å; F408-R410 PolarHBondContact O-N 3.36Å
409I95Very high94.5Very high2 Ų235.1 Ų35.11%0.0116%0.164CC..  trans-89.278.3-171.4-54.5-44.1000110.6W75 L77 V405 Y456 P458 V461 H462W75-I409 HydrophobicContact CB-CD1 3.67Å; W75-I409 HydrophobicContact CB-CG1 3.84Å; W75-I409 HydrophobicContact CB-CG2 3.96Å; W75-I409 HydrophobicContact CD2-CG1 4.46Å; W75-I409 HydrophobicContact CG-CD1 4.23Å; W75-I409 HydrophobicContact CG-CG1 3.96Å; W75-I409 HydrophobicContact CG-CG2 4.33Å; W75-I409 WeakPolarHBondContact O-CG2 3.29Å; L77-I409 HydrophobicContact CD2-CD1 3.94Å; L77-I409 HydrophobicContact CG-CD1 4.26Å; V405-I409 HydrophobicContact CB-CG1 4.44Å; V405-I409 HydrophobicContact CG1-CB 4.33Å; V405-I409 HydrophobicContact CG1-CG1 3.86Å; V405-I409 WeakPolarHBondContact O-CB 3.45Å; V405-I409 WeakPolarHBondContact O-CG1 3.25Å; V405-I409 PolarHBondContact O-N 3.45Å; I409-Y456 HydrophobicContact CG2-CE1 3.84Å; I409-Y456 WeakPolarHBondContact CG2-OH 3.21Å; I409-P458 HydrophobicContact CG2-CB 3.84Å; I409-P458 WeakPolarHBondContact O-CG 3.45Å; I409-V461 HydrophobicContact CB-CG2 4.44Å; I409-V461 HydrophobicContact CG2-CG2 4.14Å; I409-H462 PolarHBondContact O-CD2 3.02Å; I409-H462 PolarHBondContact O-NE2 3.17Å; I409-H462 VanDerWaalsContact O-NE2 3.13Å
410R96.1Very high94.7Very high1 Ų132 Ų320%0.00415%0.146CC..  trans-103.1150.9-173.9-51.4171.6170.4-152-7.5111.7R47 N373 L376 D377 D380 S407 F408 F425R47-R410 PolarHBondContact NH1-O 3.19Å; R47-R410 VanDerWaalsContact NH1-O 3.11Å; N373-R410 PolarHBondContact OD1-NH2 2.81Å; L376-R410 VanDerWaalsContact C-NH1 3.33Å; L376-R410 VanDerWaalsContact CB-NH1 3.31Å; L376-R410 VanDerWaalsContact CB-NH2 3.34Å; D377-R410 IonicContact OD1-CZ 3.53Å; D377-R410 IonicContact OD1-NH1 3.79Å; D377-R410 PolarHBondContact OD1-NH1 3.16Å; D377-R410 IonicContact OD1-NH2 3.92Å; D377-R410 PolarHBondContact OD1-NH2 3.27Å; D377-R410 VanDerWaalsContact OD1-NH2 3.14Å; D380-R410 IonicContact OD2-NH1 2.67Å; D380-R410 PolarHBondContact OD2-NH1 3.43Å; S407-R410 WeakPolarHBondContact O-CG 3.35Å; S407-R410 PolarHBondContact O-NE 3.31Å; F408-R410 PolarHBondContact O-N 3.36Å; R410-F425 HydrophobicContact CB-CD1 3.7Å; R410-F425 HydrophobicContact CB-CE1 3.93Å; R410-F425 HydrophobicContact CB-CG 4.26Å; R410-F425 HydrophobicContact CG-CD1 3.55Å; R410-F425 HydrophobicContact CG-CE1 3.64Å
411P97.9Very high94.9Very high0 Ų034 Ų340%016%0.157CC..  trans-59.9143.6169.727.3-34.7000111.8F425 Y432 Y456P411-F425 VanDerWaalsContact CD-CE2 3.45Å; P411-F425 HydrophobicContact CG-CD2 3.5Å; P411-F425 HydrophobicContact CG-CE2 3.74Å; P411-F425 HydrophobicContact CG-CG 4.17Å; P411-Y432 HydrophobicContact CB-CD1 3.78Å; P411-Y432 HydrophobicContact CB-CD2 4.15Å; P411-Y432 HydrophobicContact CB-CE1 4.07Å; P411-Y432 HydrophobicContact CB-CE2 4.42Å; P411-Y432 HydrophobicContact CB-CG 3.81Å; P411-Y432 HydrophobicContact CG-CD1 3.96Å; P411-Y432 HydrophobicContact CG-CD2 3.59Å; P411-Y432 HydrophobicContact CG-CE2 4.22Å; P411-Y432 HydrophobicContact CG-CG 3.42Å; P411-Y432 VanDerWaalsContact CG-CG 3.42Å; P411-Y432 WeakPolarHBondContact O-CE2 3.44Å; P411-Y456 WeakPolarHBondContact CA-O 3.45Å; P411-Y456 WeakPolarHBondContact CB-O 3.43Å
412Y98.4Very high95.1Very high2 Ų238.2 Ų38.21%0.00817%0.174CC..EExtended strand (participates in β ladder)trans-165.3157.7178.778.1-80.2000114.1L45 R47 G76 N78 Q414 Y432 I455 Y456L45-Y412 HydrophobicContact CB-CD2 4.14Å; L45-Y412 HydrophobicContact CB-CE2 4.2Å; L45-Y412 HydrophobicContact CD2-CD2 3.91Å; L45-Y412 HydrophobicContact CG-CD2 4.27Å; R47-Y412 HydrophobicContact CG-CE1 4.49Å; R47-Y412 HydrophobicContact CG-CE2 4.2Å; G76-Y412 PolarHBondContact O-OH 2.78Å; N78-Y412 PolarHBondContact ND2-OH 2.78Å; Y412-Q414 HydrophobicContact CD2-CG 4.12Å; Y412-Q414 HydrophobicContact CE1-CG 3.87Å; Y412-Q414 HydrophobicContact CE2-CB 4.29Å; Y412-Q414 HydrophobicContact CE2-CG 3.4Å; Y412-Q414 VanDerWaalsContact CE2-CG 3.4Å; Y412-Q414 PolarHBondContact O-N 3.33Å; Y412-Q414 VanDerWaalsContact OH-CG 3.28Å; Y412-Q414 WeakPolarHBondContact OH-CG 3.23Å; Y412-Q414 PolarHBondContact OH-NE2 3.16Å; Y412-Y432 WeakPolarHBondContact CA-OH 3.39Å; Y412-I455 WeakPolarHBondContact O-CA 3.29Å; Y412-I455 WeakPolarHBondContact O-CG2 3.17Å; Y412-Y456 AromaticContact CD1-CD1 3.81Å; Y412-Y456 HydrophobicContact CD1-CD1 3.81Å; Y412-Y456 HydrophobicContact CD1-CG 4.29Å; Y412-Y456 AromaticContact CE1-CD1 3.8Å; Y412-Y456 HydrophobicContact CE1-CD1 3.8Å; Y412-Y456 HydrophobicContact CE1-CG 4.07Å; Y412-Y456 PolarHBondContact N-O 2.64Å; Y412-Y456 PolarHBondContact O-N 2.91Å
413P98.2Very high95.4Very high0 Ų032.1 Ų32.10%015%0.146CC..EExtended strand (participates in β ladder)trans-76.4103.5175.431.6-34.2000110.8L45 F383 T416 F420 Y432 F434 I455L45-P413 VanDerWaalsContact CB-O 3.31Å; L45-P413 WeakPolarHBondContact CB-O 3.33Å; F383-P413 HydrophobicContact CD1-CG 4.4Å; F383-P413 HydrophobicContact CE1-CG 4.32Å; P413-T416 WeakPolarHBondContact CB-OG1 3.15Å; P413-F420 HydrophobicContact CB-CE1 4.03Å; P413-F420 HydrophobicContact CB-CZ 4.38Å; P413-F420 HydrophobicContact CG-CE1 3.78Å; P413-F420 HydrophobicContact CG-CZ 3.96Å; P413-Y432 VanDerWaalsContact CD-OH 3.3Å; P413-Y432 WeakPolarHBondContact CD-OH 3.37Å; P413-F434 HydrophobicContact CB-CD1 4.46Å; P413-F434 HydrophobicContact CB-CE1 3.83Å; P413-F434 HydrophobicContact CB-CE2 4.1Å; P413-F434 HydrophobicContact CB-CZ 3.63Å; P413-F434 HydrophobicContact CG-CD2 4.26Å; P413-F434 HydrophobicContact CG-CE1 4.38Å; P413-F434 HydrophobicContact CG-CE2 3.78Å; P413-F434 HydrophobicContact CG-CZ 3.84Å; P413-I455 HydrophobicContact CB-CD1 3.77Å
414Q98Very high95.8Very high30 Ų3034.7 Ų34.714%0.1415%0.154CC..EExtended strand (participates in β ladder)trans-74.2-29.9174.7-83-173.8-26.900112.4K44 G76 Y412 E454K44-Q414 VanDerWaalsContact CE-O 3.3Å; K44-Q414 WeakPolarHBondContact CE-O 3.3Å; K44-Q414 PolarHBondContact NZ-O 2.57Å; K44-Q414 VanDerWaalsContact NZ-O 3.11Å; G76-Q414 PolarHBondContact O-NE2 3.33Å; Y412-Q414 HydrophobicContact CD2-CG 4.12Å; Y412-Q414 HydrophobicContact CE1-CG 3.87Å; Y412-Q414 HydrophobicContact CE2-CB 4.29Å; Y412-Q414 HydrophobicContact CE2-CG 3.4Å; Y412-Q414 VanDerWaalsContact CE2-CG 3.4Å; Y412-Q414 PolarHBondContact O-N 3.33Å; Y412-Q414 VanDerWaalsContact OH-CG 3.28Å; Y412-Q414 WeakPolarHBondContact OH-CG 3.23Å; Y412-Q414 PolarHBondContact OH-NE2 3.16Å; Q414-E454 PolarHBondContact N-O 3.23Å
415S97.7Very high96.1Very high3 Ų333.8 Ų33.82%0.02115%0.15CC..EExtended strand (participates in β ladder)trans-143.6133.3178.4-152.20000109.5Y42 I43 K44 A453 E454Y42-S415 VanDerWaalsContact CB-OG 3.31Å; Y42-S415 WeakPolarHBondContact CB-OG 3.39Å; Y42-S415 VanDerWaalsContact CD1-OG 3.31Å; Y42-S415 WeakPolarHBondContact CD1-OG 3.12Å; I43-S415 CarbonylContact O-C 3.5Å; I43-S415 WeakPolarHBondContact O-CA 3.06Å; K44-S415 PolarHBondContact NZ-OG 3.01Å; S415-A453 CarbonylContact O-C 3.59Å; S415-A453 VanDerWaalsContact O-CA 3.26Å; S415-A453 WeakPolarHBondContact O-CA 3.47Å; S415-E454 WeakPolarHBondContact CB-OE2 3.42Å; S415-E454 PolarHBondContact N-O 2.93Å; S415-E454 PolarHBondContact O-N 2.86Å
416T97.7Very high96.2Very high0 Ų035.7 Ų35.70%016%0.16CC..EExtended strand (participates in β ladder)trans-148.4125.9177.1-61.20000112.7Y42 I43 P413 G418 F420 F434 F436Y42-T416 CarbonylContact C-O 3.44Å; Y42-T416 WeakPolarHBondContact CA-O 3.46Å; I43-T416 PolarHBondContact N-O 3.18Å; I43-T416 PolarHBondContact O-N 3.19Å; P413-T416 WeakPolarHBondContact CB-OG1 3.15Å; T416-G418 PolarHBondContact O-N 3.5Å; T416-F420 HydrophobicContact CG2-CD1 4.26Å; T416-F420 HydrophobicContact CG2-CE1 3.86Å; T416-F420 WeakPolarHBondContact OG1-CE1 3.33Å; T416-F434 HydrophobicContact CG2-CZ 4.24Å; T416-F436 HydrophobicContact CG2-CB 4.13Å; T416-F436 HydrophobicContact CG2-CD1 4.23Å; T416-F436 HydrophobicContact CG2-CD2 3.37Å; T416-F436 HydrophobicContact CG2-CE1 4.49Å; T416-F436 HydrophobicContact CG2-CE2 3.68Å; T416-F436 HydrophobicContact CG2-CG 3.66Å; T416-F436 HydrophobicContact CG2-CZ 4.23Å
417N94.9Very high95.9Very high18 Ų1832.1 Ų32.110%0.09615%0.149CC..SBendtrans-91.785.4173.2-170-6.5000110.7Y42 T438 N439 L441 I452Y42-N417 HydrophobicContact CD1-CB 3.83Å; Y42-N417 HydrophobicContact CD2-CB 4.44Å; Y42-N417 HydrophobicContact CE1-CB 3.67Å; Y42-N417 HydrophobicContact CE2-CB 4.3Å; Y42-N417 HydrophobicContact CG-CB 4.22Å; N417-T438 WeakPolarHBondContact O-CA 3.38Å; N417-N439 PolarHBondContact O-N 3.3Å; N417-N439 WeakPolarHBondContact OD1-CB 3.28Å; N417-N439 PolarHBondContact OD1-ND2 3.17Å; N417-N439 VanDerWaalsContact OD1-ND2 3.14Å; N417-L441 WeakPolarHBondContact ND2-CD2 3.46Å; N417-I452 PolarHBondContact N-O 3.01Å
418G94.9Very high95.8Very high4 Ų438 Ų384%0.04118%0.176CC..EExtended strand (participates in β ladder)trans165-155.5-177.300000112.7I43 T416 I437 N439I43-G418 WeakPolarHBondContact CD1-O 3.29Å; T416-G418 PolarHBondContact O-N 3.5Å; G418-I437 CarbonylContact C-O 3.48Å; G418-I437 WeakPolarHBondContact CA-O 3.29Å; G418-N439 PolarHBondContact N-ND2 3.14Å
419R95.8Very high95.8Very high169 Ų16940.5 Ų40.564%0.63819%0.192SC*.EExtended strand (participates in β ladder)trans-121.7127.5174.3177.8179.5171.41741109.7F436 I437R419-F436 CarbonylContact O-C 3.58Å; R419-F436 VanDerWaalsContact O-CA 3.27Å; R419-F436 WeakPolarHBondContact O-CA 3.39Å; R419-F436 WeakPolarHBondContact O-CB 3.47Å; R419-I437 PolarHBondContact N-O 3.49Å; R419-I437 PolarHBondContact O-N 3.04Å
420F97.6Very high95.7Very high24 Ų2440.4 Ų40.411%0.10519%0.191CC..EExtended strand (participates in β ladder)trans-60.9141175.2-62.4-38.4000112.7M35 I43 F383 P413 T416 F434 F436M35-F420 HydrophobicContact CE-CD2 3.67Å; M35-F420 HydrophobicContact CE-CE2 3.53Å; I43-F420 HydrophobicContact CB-CE2 4.48Å; I43-F420 HydrophobicContact CB-CZ 4.23Å; I43-F420 HydrophobicContact CG2-CD2 4.48Å; I43-F420 HydrophobicContact CG2-CE2 3.54Å; I43-F420 HydrophobicContact CG2-CZ 3.62Å; F383-F420 HydrophobicContact CB-CD2 3.59Å; F383-F420 HydrophobicContact CB-CE2 3.9Å; F383-F420 HydrophobicContact CB-CG 4.48Å; F383-F420 HydrophobicContact CD1-CB 4.06Å; F383-F420 HydrophobicContact CD1-CD1 4.06Å; F383-F420 AromaticContact CD1-CD2 3.43Å; F383-F420 HydrophobicContact CD1-CD2 3.43Å; F383-F420 VanDerWaalsContact CD1-CD2 3.43Å; F383-F420 HydrophobicContact CD1-CE1 4.33Å; F383-F420 AromaticContact CD1-CE2 3.75Å; F383-F420 HydrophobicContact CD1-CE2 3.75Å; F383-F420 AromaticContact CD1-CG 3.6Å; F383-F420 HydrophobicContact CD1-CG 3.6Å; F383-F420 HydrophobicContact CD1-CZ 4.2Å; F383-F420 HydrophobicContact CD2-CB 3.69Å; F383-F420 AromaticContact CD2-CD2 3.96Å; F383-F420 HydrophobicContact CD2-CD2 3.96Å; F383-F420 HydrophobicContact CD2-CG 4.08Å; F383-F420 HydrophobicContact CE1-CB 3.87Å; F383-F420 AromaticContact CE1-CD1 3.88Å; F383-F420 HydrophobicContact CE1-CD1 3.88Å; F383-F420 HydrophobicContact CE1-CD2 4.03Å; F383-F420 HydrophobicContact CE1-CE1 4.39Å; F383-F420 AromaticContact CE1-CG 3.68Å; F383-F420 HydrophobicContact CE1-CG 3.68Å; F383-F420 HydrophobicContact CE2-CB 3.5Å; F383-F420 HydrophobicContact CE2-CG 4.16Å; F383-F420 HydrophobicContact CG-CB 3.96Å; F383-F420 AromaticContact CG-CD2 3.38Å; F383-F420 HydrophobicContact CG-CD2 3.38Å; F383-F420 AromaticContact CG-CE2 3.97Å; F383-F420 HydrophobicContact CG-CE2 3.97Å; F383-F420 AromaticContact CG-CG 3.79Å; F383-F420 HydrophobicContact CG-CG 3.79Å; F383-F420 HydrophobicContact CZ-CB 3.57Å; F383-F420 HydrophobicContact CZ-CD1 4.36Å; F383-F420 AromaticContact CZ-CG 3.95Å; F383-F420 HydrophobicContact CZ-CG 3.95Å; P413-F420 HydrophobicContact CB-CE1 4.03Å; P413-F420 HydrophobicContact CB-CZ 4.38Å; P413-F420 HydrophobicContact CG-CE1 3.78Å; P413-F420 HydrophobicContact CG-CZ 3.96Å; T416-F420 HydrophobicContact CG2-CD1 4.26Å; T416-F420 HydrophobicContact CG2-CE1 3.86Å; T416-F420 WeakPolarHBondContact OG1-CE1 3.33Å; F420-F434 AromaticContact CD1-CE2 3.65Å; F420-F434 HydrophobicContact CD1-CE2 3.65Å; F420-F434 AromaticContact CD1-CZ 3.78Å; F420-F434 HydrophobicContact CD1-CZ 3.78Å; F420-F434 AromaticContact CE1-CE2 3.95Å; F420-F434 HydrophobicContact CE1-CE2 3.95Å; F420-F434 AromaticContact CE1-CZ 3.79Å; F420-F434 HydrophobicContact CE1-CZ 3.79Å; F420-F436 HydrophobicContact CD1-CB 4.39Å
421V98Very high95.7Very high77 Ų7745 Ų4547%0.46721%0.212SC..EExtended strand (participates in β ladder)trans-109.8-59.7174.5173.90000109.6S435 I437 L499V421-S435 WeakPolarHBondContact CB-OG 3.42Å; V421-S435 PolarHBondContact N-O 3.03Å; V421-I437 HydrophobicContact CG2-CD1 3.99Å; V421-I437 HydrophobicContact CG2-CG1 3.79Å; V421-L499 HydrophobicContact CG2-CD1 4.17Å
422K98.1Very high95.8Very high137 Ų13745.1 Ų45.160%0.59621%0.213SC*.EExtended strand (participates in β ladder)trans-159.8146.8-178.7-166.2179.4178.7-170.20111.2F383 F434 S435F383-K422 VanDerWaalsContact CZ-C 3.42Å; K422-F434 CarbonylContact O-C 3.5Å; K422-S435 PolarHBondContact N-O 2.86Å; K422-S435 PolarHBondContact N-OG 3.29Å; K422-S435 PolarHBondContact O-N 3.07Å; K422-S435 PolarHBondContact O-OG 3.3Å; K422-S435 VanDerWaalsContact O-OG 3.09Å
423Q98.1Very high95.8Very high5 Ų547 Ų472%0.02323%0.227CC..EExtended strand (participates in β ladder)trans-135159.3162.467.7175.3-22.300110.6D380 F383 Y432 S433 F434D380-Q423 HydrophobicContact CB-CG 4.34Å; D380-Q423 WeakPolarHBondContact O-CG 3.16Å; D380-Q423 PolarHBondContact O-NE2 2.55Å; F383-Q423 HydrophobicContact CD1-CG 4.09Å; F383-Q423 VanDerWaalsContact CD1-NE2 3.34Å; F383-Q423 HydrophobicContact CE1-CB 3.8Å; F383-Q423 HydrophobicContact CE1-CG 3.55Å; F383-Q423 HydrophobicContact CE2-CG 4.46Å; F383-Q423 HydrophobicContact CZ-CB 3.87Å; F383-Q423 HydrophobicContact CZ-CG 3.77Å; Q423-Y432 HydrophobicContact CB-CE2 4.3Å; Q423-Y432 PolarHBondContact OE1-OH 3.16Å; Q423-Y432 VanDerWaalsContact OE1-OH 3.09Å; Q423-S433 CarbonylContact C-O 3.57Å; Q423-S433 WeakPolarHBondContact CA-O 3.41Å; Q423-F434 HydrophobicContact CB-CD2 4.13Å
424H97.5Very high95.8Very high101 Ų10147.2 Ų47.247%0.46823%0.227SC..EExtended strand (participates in β ladder)trans-158.2135.5173174.9-97.6000109.2Y432 S433H424-Y432 WeakPolarHBondContact O-CA 3.29Å; H424-Y432 VanDerWaalsContact O-CD2 3.3Å; H424-Y432 WeakPolarHBondContact O-CD2 3.31Å; H424-S433 PolarHBondContact N-O 3.09Å; H424-S433 PolarHBondContact O-N 3.09Å
425F97.1Very high95.8Very high3 Ų346.4 Ų46.41%0.01323%0.225CC..EExtended strand (participates in β ladder)trans-122.8130173.5177.7-119000109.6R410 P411 H427 E431 Y432 H462R410-F425 HydrophobicContact CB-CD1 3.7Å; R410-F425 HydrophobicContact CB-CE1 3.93Å; R410-F425 HydrophobicContact CB-CG 4.26Å; R410-F425 HydrophobicContact CG-CD1 3.55Å; R410-F425 HydrophobicContact CG-CE1 3.64Å; P411-F425 VanDerWaalsContact CD-CE2 3.45Å; P411-F425 HydrophobicContact CG-CD2 3.5Å; P411-F425 HydrophobicContact CG-CE2 3.74Å; P411-F425 HydrophobicContact CG-CG 4.17Å; F425-H427 HydrophobicContact CD1-CB 4.42Å; F425-H427 HydrophobicContact CE1-CB 3.94Å; F425-E431 WeakPolarHBondContact CA-O 3.47Å; F425-E431 WeakPolarHBondContact CD2-O 3.31Å; F425-Y432 HydrophobicContact CB-CD2 3.98Å; F425-Y432 HydrophobicContact CD2-CD2 4.32Å; F425-H462 AromaticContact CE1-NE2 3.83Å; F425-H462 AromaticContact CZ-CD2 3.72Å; F425-H462 AromaticContact CZ-CE1 3.69Å; F425-H462 AromaticContact CZ-CG 3.92Å; F425-H462 AromaticContact CZ-ND1 3.91Å; F425-H462 AromaticContact CZ-NE2 3.56Å
426N94Very high95.8Very high43 Ų4346.3 Ų46.323%0.2322%0.224CC..  trans-99.3111169.6-177.3-35.6000108.9E428 T429 G430 E431N426-E428 VanDerWaalsContact C-N 3.28Å; N426-E428 PolarHBondContact O-N 3Å; N426-E428 WeakPolarHBondContact OD1-CA 3.37Å; N426-E428 WeakPolarHBondContact OD1-CB 3.38Å; N426-E428 PolarHBondContact OD1-N 3.23Å; N426-T429 VanDerWaalsContact CB-OG1 3.3Å; N426-T429 WeakPolarHBondContact CB-OG1 3.15Å; N426-T429 PolarHBondContact OD1-N 2.82Å; N426-T429 PolarHBondContact OD1-OG1 2.99Å; N426-G430 WeakPolarHBondContact O-CA 3.49Å; N426-G430 PolarHBondContact O-N 3.02Å; N426-E431 HydrophobicContact CB-CB 4.46Å; N426-E431 PolarHBondContact N-O 3.25Å
427H85.6Confident95.8Very high51 Ų5149.4 Ų49.424%0.23624%0.24CC..THydrogen-bonded Turntrans-66.3-28.2-17769-85.3000113.6F425F425-H427 HydrophobicContact CD1-CB 4.42Å; F425-H427 HydrophobicContact CE1-CB 3.94Å
428E87.4Confident95.8Very high125 Ų12548.5 Ų48.558%0.58424%0.235SC*.THydrogen-bonded Turntrans-73.3-57.1178.7-58.1-174.7163.300110.3N426 R506N426-E428 VanDerWaalsContact C-N 3.28Å; N426-E428 PolarHBondContact O-N 3Å; N426-E428 WeakPolarHBondContact OD1-CA 3.37Å; N426-E428 WeakPolarHBondContact OD1-CB 3.38Å; N426-E428 PolarHBondContact OD1-N 3.23Å; E428-R506 PolarHBondContact O-NH1 3.44Å
429T93.1Very high95.5Very high56 Ų5651.2 Ų51.234%0.34425%0.249SC..THydrogen-bonded Turntrans-79.5-26.3-175.265.90000112.5N426 E431 R506N426-T429 VanDerWaalsContact CB-OG1 3.3Å; N426-T429 WeakPolarHBondContact CB-OG1 3.15Å; N426-T429 PolarHBondContact OD1-N 2.82Å; N426-T429 PolarHBondContact OD1-OG1 2.99Å; T429-E431 WeakPolarHBondContact OG1-CB 3.31Å; T429-E431 VanDerWaalsContact OG1-CG 3.32Å; T429-E431 WeakPolarHBondContact OG1-CG 3.36Å; T429-E431 PolarHBondContact OG1-N 2.63Å; T429-E431 PolarHBondContact OG1-OE2 2.93Å; T429-R506 WeakPolarHBondContact O-CB 3.5Å; T429-R506 VanDerWaalsContact O-CZ 3.32Å; T429-R506 PolarHBondContact O-NE 3.45Å; T429-R506 PolarHBondContact O-NH1 3.38Å
430G93.6Very high94.7Very high0 Ų048.9 Ų48.90%025%0.245CC..  trans76.99.5-169.400000113.7N426 Y463N426-G430 WeakPolarHBondContact O-CA 3.49Å; N426-G430 PolarHBondContact O-N 3.02Å; G430-Y463 WeakPolarHBondContact O-CE1 3.5Å; G430-Y463 PolarHBondContact O-OH 3.44Å
431E97.1Very high93.4Very high96 Ų9648.6 Ų48.645%0.44925%0.245SC..  trans-69.5133.2175.6-70.4168.4168.500110.1F425 N426 T429 L504F425-E431 WeakPolarHBondContact CA-O 3.47Å; F425-E431 WeakPolarHBondContact CD2-O 3.31Å; N426-E431 HydrophobicContact CB-CB 4.46Å; N426-E431 PolarHBondContact N-O 3.25Å; T429-E431 WeakPolarHBondContact OG1-CB 3.31Å; T429-E431 VanDerWaalsContact OG1-CG 3.32Å; T429-E431 WeakPolarHBondContact OG1-CG 3.36Å; T429-E431 PolarHBondContact OG1-N 2.63Å; T429-E431 PolarHBondContact OG1-OE2 2.93Å; E431-L504 WeakPolarHBondContact CA-O 3.34Å
432Y98.3Very high91.4Very high4 Ų449.7 Ų49.72%0.01626%0.256CS..EExtended strand (participates in β ladder)trans-130.7130.1177.6178.5-117.5000110.2P411 Y412 P413 Q423 H424 F425 F434 I455 M502 E503 L504P411-Y432 HydrophobicContact CB-CD1 3.78Å; P411-Y432 HydrophobicContact CB-CD2 4.15Å; P411-Y432 HydrophobicContact CB-CE1 4.07Å; P411-Y432 HydrophobicContact CB-CE2 4.42Å; P411-Y432 HydrophobicContact CB-CG 3.81Å; P411-Y432 HydrophobicContact CG-CD1 3.96Å; P411-Y432 HydrophobicContact CG-CD2 3.59Å; P411-Y432 HydrophobicContact CG-CE2 4.22Å; P411-Y432 HydrophobicContact CG-CG 3.42Å; P411-Y432 VanDerWaalsContact CG-CG 3.42Å; P411-Y432 WeakPolarHBondContact O-CE2 3.44Å; Y412-Y432 WeakPolarHBondContact CA-OH 3.39Å; P413-Y432 VanDerWaalsContact CD-OH 3.3Å; P413-Y432 WeakPolarHBondContact CD-OH 3.37Å; Q423-Y432 HydrophobicContact CB-CE2 4.3Å; Q423-Y432 PolarHBondContact OE1-OH 3.16Å; Q423-Y432 VanDerWaalsContact OE1-OH 3.09Å; H424-Y432 WeakPolarHBondContact O-CA 3.29Å; H424-Y432 VanDerWaalsContact O-CD2 3.3Å; H424-Y432 WeakPolarHBondContact O-CD2 3.31Å; F425-Y432 HydrophobicContact CB-CD2 3.98Å; F425-Y432 HydrophobicContact CD2-CD2 4.32Å; Y432-F434 HydrophobicContact CE1-CB 3.72Å; Y432-I455 HydrophobicContact CE1-CG2 3.99Å; Y432-M502 HydrophobicContact CD1-CE 4.46Å; Y432-E503 CarbonylContact O-C 3.43Å; Y432-E503 WeakPolarHBondContact O-CA 3.43Å; Y432-L504 HydrophobicContact CD1-CD1 3.94Å; Y432-L504 HydrophobicContact CD1-CG 4.37Å; Y432-L504 PolarHBondContact N-O 2.88Å; Y432-L504 PolarHBondContact O-N 2.75Å
433S98.4Very high89.1Confident42 Ų4249.5 Ų49.529%0.29426%0.261SS..EExtended strand (participates in β ladder)trans-120.7138.4172660000109.8Q423 H424 M502Q423-S433 CarbonylContact C-O 3.57Å; Q423-S433 WeakPolarHBondContact CA-O 3.41Å; H424-S433 PolarHBondContact N-O 3.09Å; H424-S433 PolarHBondContact O-N 3.09Å; S433-M502 CarbonylContact C-O 3.5Å; S433-M502 VanDerWaalsContact CA-O 3.3Å; S433-M502 WeakPolarHBondContact CA-O 3.17Å
434F98.6Very high86.8Confident3 Ų356.6 Ų56.61%0.01329%0.294CS..EExtended strand (participates in β ladder)trans-142.8136.6176.4173.3-127.9000110.4F383 P413 T416 F420 K422 Q423 Y432 F436 I455 M502F383-F434 HydrophobicContact CE1-CD2 4.03Å; F383-F434 AromaticContact CE1-CE2 3.73Å; F383-F434 HydrophobicContact CE1-CE2 3.73Å; F383-F434 HydrophobicContact CZ-CD2 4.36Å; F383-F434 HydrophobicContact CZ-CE2 4.17Å; P413-F434 HydrophobicContact CB-CD1 4.46Å; P413-F434 HydrophobicContact CB-CE1 3.83Å; P413-F434 HydrophobicContact CB-CE2 4.1Å; P413-F434 HydrophobicContact CB-CZ 3.63Å; P413-F434 HydrophobicContact CG-CD2 4.26Å; P413-F434 HydrophobicContact CG-CE1 4.38Å; P413-F434 HydrophobicContact CG-CE2 3.78Å; P413-F434 HydrophobicContact CG-CZ 3.84Å; T416-F434 HydrophobicContact CG2-CZ 4.24Å; F420-F434 AromaticContact CD1-CE2 3.65Å; F420-F434 HydrophobicContact CD1-CE2 3.65Å; F420-F434 AromaticContact CD1-CZ 3.78Å; F420-F434 HydrophobicContact CD1-CZ 3.78Å; F420-F434 AromaticContact CE1-CE2 3.95Å; F420-F434 HydrophobicContact CE1-CE2 3.95Å; F420-F434 AromaticContact CE1-CZ 3.79Å; F420-F434 HydrophobicContact CE1-CZ 3.79Å; K422-F434 CarbonylContact O-C 3.5Å; Q423-F434 HydrophobicContact CB-CD2 4.13Å; Y432-F434 HydrophobicContact CE1-CB 3.72Å; F434-F436 HydrophobicContact CD1-CD1 4.14Å; F434-F436 HydrophobicContact CD1-CE1 4.5Å; F434-F436 AromaticContact CE1-CD1 3.34Å; F434-F436 HydrophobicContact CE1-CD1 3.34Å; F434-F436 AromaticContact CE1-CE1 3.75Å; F434-F436 HydrophobicContact CE1-CE1 3.75Å; F434-F436 HydrophobicContact CE1-CG 4.21Å; F434-F436 HydrophobicContact CE2-CB 4.28Å; F434-F436 HydrophobicContact CE2-CD1 4.42Å; F434-F436 HydrophobicContact CZ-CB 3.88Å; F434-F436 AromaticContact CZ-CD1 3.52Å; F434-F436 HydrophobicContact CZ-CD1 3.52Å; F434-F436 HydrophobicContact CZ-CE1 4.31Å; F434-F436 AromaticContact CZ-CG 3.95Å; F434-F436 HydrophobicContact CZ-CG 3.95Å; F434-I455 HydrophobicContact CD1-CD1 3.66Å; F434-I455 HydrophobicContact CE1-CD1 3.58Å; F434-M502 PolarHBondContact N-O 3.25Å; F434-M502 PolarHBondContact O-N 2.69Å
435S98.5Very high84.6Confident13 Ų1360.1 Ų60.19%0.09131%0.305CS..EExtended strand (participates in β ladder)trans-139.7141.7176.456.40000112V421 K422 V500V421-S435 WeakPolarHBondContact CB-OG 3.42Å; V421-S435 PolarHBondContact N-O 3.03Å; K422-S435 PolarHBondContact N-O 2.86Å; K422-S435 PolarHBondContact N-OG 3.29Å; K422-S435 PolarHBondContact O-N 3.07Å; K422-S435 PolarHBondContact O-OG 3.3Å; K422-S435 VanDerWaalsContact O-OG 3.09Å; S435-V500 WeakPolarHBondContact CA-O 3.32Å; S435-V500 WeakPolarHBondContact CB-O 3.26Å
436F98.1Very high82.3Confident1 Ų166.3 Ų66.30%0.00435%0.349CS..EExtended strand (participates in β ladder)trans-152.6160176.771.6-78.4000110.5T416 R419 F420 F434 T438 I452 A453 V500T416-F436 HydrophobicContact CG2-CB 4.13Å; T416-F436 HydrophobicContact CG2-CD1 4.23Å; T416-F436 HydrophobicContact CG2-CD2 3.37Å; T416-F436 HydrophobicContact CG2-CE1 4.49Å; T416-F436 HydrophobicContact CG2-CE2 3.68Å; T416-F436 HydrophobicContact CG2-CG 3.66Å; T416-F436 HydrophobicContact CG2-CZ 4.23Å; R419-F436 CarbonylContact O-C 3.58Å; R419-F436 VanDerWaalsContact O-CA 3.27Å; R419-F436 WeakPolarHBondContact O-CA 3.39Å; R419-F436 WeakPolarHBondContact O-CB 3.47Å; F420-F436 HydrophobicContact CD1-CB 4.39Å; F434-F436 HydrophobicContact CD1-CD1 4.14Å; F434-F436 HydrophobicContact CD1-CE1 4.5Å; F434-F436 AromaticContact CE1-CD1 3.34Å; F434-F436 HydrophobicContact CE1-CD1 3.34Å; F434-F436 AromaticContact CE1-CE1 3.75Å; F434-F436 HydrophobicContact CE1-CE1 3.75Å; F434-F436 HydrophobicContact CE1-CG 4.21Å; F434-F436 HydrophobicContact CE2-CB 4.28Å; F434-F436 HydrophobicContact CE2-CD1 4.42Å; F434-F436 HydrophobicContact CZ-CB 3.88Å; F434-F436 AromaticContact CZ-CD1 3.52Å; F434-F436 HydrophobicContact CZ-CD1 3.52Å; F434-F436 HydrophobicContact CZ-CE1 4.31Å; F434-F436 AromaticContact CZ-CG 3.95Å; F434-F436 HydrophobicContact CZ-CG 3.95Å; F436-T438 HydrophobicContact CE2-CG2 3.84Å; F436-T438 HydrophobicContact CZ-CG2 4.47Å; F436-I452 HydrophobicContact CE2-CB 4.42Å; F436-I452 HydrophobicContact CE2-CD1 4.44Å; F436-I452 HydrophobicContact CZ-CB 4.28Å; F436-I452 HydrophobicContact CZ-CD1 3.83Å; F436-I452 HydrophobicContact CZ-CG1 4.11Å; F436-A453 HydrophobicContact CE1-CB 4.02Å; F436-A453 HydrophobicContact CZ-CB 3.84Å; F436-V500 HydrophobicContact CD1-CB 3.93Å; F436-V500 HydrophobicContact CD1-CG1 4.14Å; F436-V500 HydrophobicContact CE1-CB 3.58Å; F436-V500 HydrophobicContact CE1-CG1 3.49Å; F436-V500 VanDerWaalsContact CE1-CG1 3.49Å; F436-V500 HydrophobicContact CE1-CG2 4.22Å; F436-V500 HydrophobicContact CE2-CG2 4.45Å; F436-V500 HydrophobicContact CZ-CB 3.92Å; F436-V500 HydrophobicContact CZ-CG1 4.04Å; F436-V500 HydrophobicContact CZ-CG2 4.03Å; F436-V500 PolarHBondContact N-O 3.32Å; F436-V500 PolarHBondContact O-N 2.97Å
437I96.9Very high80.6Confident65 Ų6570.1 Ų70.133%0.33337%0.365SS..EExtended strand (participates in β ladder)trans-104.5122.8174-62.9168.2000107.8G418 R419 V421 H497 V498 L499G418-I437 CarbonylContact C-O 3.48Å; G418-I437 WeakPolarHBondContact CA-O 3.29Å; R419-I437 PolarHBondContact N-O 3.49Å; R419-I437 PolarHBondContact O-N 3.04Å; V421-I437 HydrophobicContact CG2-CD1 3.99Å; V421-I437 HydrophobicContact CG2-CG1 3.79Å; I437-H497 HydrophobicContact CG2-CB 3.76Å; I437-V498 CarbonylContact C-O 3.57Å; I437-V498 WeakPolarHBondContact CA-O 3.28Å; I437-L499 HydrophobicContact CG1-CD1 4.07Å
438T94.9Very high79.4Confident0 Ų076.8 Ų76.80%039%0.393CS..EExtended strand (participates in β ladder)trans-61.8146.4179.260.50000111.3N417 F436 I452 E496 H497 V498 V500N417-T438 WeakPolarHBondContact O-CA 3.38Å; F436-T438 HydrophobicContact CE2-CG2 3.84Å; F436-T438 HydrophobicContact CZ-CG2 4.47Å; T438-I452 HydrophobicContact CG2-CB 4.45Å; T438-I452 HydrophobicContact CG2-CD1 4Å; T438-I452 HydrophobicContact CG2-CG2 4.27Å; T438-E496 PolarHBondContact OG1-O 3.24Å; T438-H497 PolarHBondContact O-ND1 3.16Å; T438-V498 HydrophobicContact CG2-CB 4.31Å; T438-V498 PolarHBondContact N-O 3.37Å; T438-V498 PolarHBondContact OG1-N 2.89Å; T438-V500 HydrophobicContact CG2-CG2 3.88Å
439N89.7Confident78.5Confident60 Ų6074.2 Ų74.232%0.32138%0.381SS..PPolyproline II helixtrans-74157.6162.3-67.8-36.1000109.6N417 G418 L441N417-N439 PolarHBondContact O-N 3.3Å; N417-N439 WeakPolarHBondContact OD1-CB 3.28Å; N417-N439 PolarHBondContact OD1-ND2 3.17Å; N417-N439 VanDerWaalsContact OD1-ND2 3.14Å; G418-N439 PolarHBondContact N-ND2 3.14Å; N439-L441 PolarHBondContact O-N 2.79Å
440Q79.2Confident78.1Confident121 Ų12172.6 Ų72.657%0.56537%0.37SS*.PPolyproline II helixtrans-63.9127.8167.2-70.1-174.3-36.700109.4S442 N495Q440-S442 PolarHBondContact O-N 3.45Å; Q440-N495 PolarHBondContact NE2-O 2.97Å
441L68.7Low78.1Confident18 Ų1874.5 Ų74.59%0.09438%0.38CS..  trans-87.5104.8-178.4-65.4162.7000107.7N417 N439 N450 I452 L489 R494N417-L441 WeakPolarHBondContact ND2-CD2 3.46Å; N439-L441 PolarHBondContact O-N 2.79Å; L441-N450 HydrophobicContact CD1-CB 3.58Å; L441-N450 WeakPolarHBondContact CD1-ND2 3.34Å; L441-I452 HydrophobicContact CD1-CG2 4.13Å; L441-L489 HydrophobicContact CD1-CD2 3.87Å; L441-R494 PolarHBondContact N-O 3.45Å; L441-R494 VanDerWaalsContact N-O 3.11Å
442S56.7Low78Confident100 Ų10069.9 Ų69.970%0.69936%0.359SS*.  trans-62.8142.4174.669.50000109.7Q440 Q444Q440-S442 PolarHBondContact O-N 3.45Å; S442-Q444 PolarHBondContact O-N 3.09Å
443N49.2Very low77.9Confident132 Ų13269.7 Ų69.771%0.70636%0.358SS*.SBendtrans-60.728.5-165.3-79-34.7000117.6Y445N443-Y445 PolarHBondContact O-N 2.82Å
444Q49.4Very low77.9Confident155 Ų15570.5 Ų70.572%0.72436%0.357SS*.  trans-82-7-167.3-75.4-152.5-43.700117S442S442-Q444 PolarHBondContact O-N 3.09Å
445Y51.6Low77.9Confident175 Ų17570.3 Ų70.369%0.68636%0.356SS*.  trans-140129.1173.5-71.1-82.6000114.1N443 E447 R494N443-Y445 PolarHBondContact O-N 2.82Å; Y445-E447 PolarHBondContact O-N 2.91Å; Y445-R494 PolarHBondContact O-NH1 3.41Å
446S50Low77.9Confident133 Ų13369.9 Ų69.993%0.9335%0.353SS*.  trans-72.831.9174.3-59.90000113.3
447E56.9Low77.9Confident122 Ų12269.9 Ų69.957%0.5735%0.353SS*.  trans-74157.2173.8-68.6-169.5171.100110.5Y445 Q449 R494Y445-E447 PolarHBondContact O-N 2.91Å; E447-Q449 VanDerWaalsContact C-N 3.27Å; E447-Q449 PolarHBondContact O-N 3.3Å; E447-R494 PolarHBondContact O-NH2 2.9Å
448K60.6Low77.9Confident192 Ų19266.8 Ų66.884%0.83534%0.337SS*.SBendtrans-72.8-20179.5-73.5-176.7177.4179.10113.2T491K448-T491 WeakPolarHBondContact O-CG2 3.25Å
449Q69.7Low77.9Confident70 Ų7068.9 Ų68.933%0.32735%0.348SS..EExtended strand (participates in β ladder)trans-150.8154.5-178.9-61.1-176.1-27.200108.3E447 T477 Y488E447-Q449 VanDerWaalsContact C-N 3.27Å; E447-Q449 PolarHBondContact O-N 3.3Å; Q449-T477 PolarHBondContact NE2-OG1 3.46Å; Q449-T477 PolarHBondContact OE1-OG1 3.06Å; Q449-Y488 HydrophobicContact CB-CD1 4.39Å; Q449-Y488 HydrophobicContact CB-CG 4.46Å
450N85Confident78.1Confident22 Ų2270 Ų7012%0.11836%0.361CS..EExtended strand (participates in β ladder)trans-111.8127.1178.5-68.3-16.7000110.2L441 I452 Y488 L489 R494L441-N450 HydrophobicContact CD1-CB 3.58Å; L441-N450 WeakPolarHBondContact CD1-ND2 3.34Å; N450-I452 PolarHBondContact O-N 3.08Å; N450-Y488 CarbonylContact O-C 3.54Å; N450-Y488 WeakPolarHBondContact O-CA 3.31Å; N450-L489 PolarHBondContact N-O 3.16Å; N450-L489 PolarHBondContact O-N 2.94Å; N450-R494 WeakPolarHBondContact ND2-CD 3.32Å; N450-R494 WeakPolarHBondContact ND2-CG 3.35Å; N450-R494 PolarHBondContact ND2-NE 3.49Å; N450-R494 VanDerWaalsContact OD1-CZ 3.26Å; N450-R494 PolarHBondContact OD1-NE 3.48Å; N450-R494 PolarHBondContact OD1-NH2 2.86Å
451L92.4Very high78.7Confident40 Ų4065.8 Ų65.821%0.20934%0.343CS..EExtended strand (participates in β ladder)trans-57.6134167.9-177.265.9000108.8Y42 E454 Y488Y42-L451 HydrophobicContact CE1-CG 4.33Å; Y42-L451 PolarHBondContact OH-O 3.04Å; L451-E454 HydrophobicContact CD1-CG 4.14Å; L451-E454 HydrophobicContact CD2-CG 4.11Å; L451-Y488 HydrophobicContact CB-CD1 4.08Å; L451-Y488 HydrophobicContact CB-CE1 3.95Å; L451-Y488 HydrophobicContact CD1-CD1 4.36Å; L451-Y488 HydrophobicContact CD1-CE1 3.95Å
452I94.8Very high80Confident0 Ų065 Ų650%034%0.339CS..EExtended strand (participates in β ladder)trans-127.3-24.7178.355.2167.2000112.9N417 F436 T438 L441 N450 L476 I487 L489 V500N417-I452 PolarHBondContact N-O 3.01Å; F436-I452 HydrophobicContact CE2-CB 4.42Å; F436-I452 HydrophobicContact CE2-CD1 4.44Å; F436-I452 HydrophobicContact CZ-CB 4.28Å; F436-I452 HydrophobicContact CZ-CD1 3.83Å; F436-I452 HydrophobicContact CZ-CG1 4.11Å; T438-I452 HydrophobicContact CG2-CB 4.45Å; T438-I452 HydrophobicContact CG2-CD1 4Å; T438-I452 HydrophobicContact CG2-CG2 4.27Å; L441-I452 HydrophobicContact CD1-CG2 4.13Å; N450-I452 PolarHBondContact O-N 3.08Å; I452-L476 HydrophobicContact CD1-CD2 4.1Å; I452-I487 HydrophobicContact CD1-CG2 4Å; I452-I487 HydrophobicContact CG1-CB 4.29Å; I452-I487 HydrophobicContact CG1-CG2 4.05Å; I452-I487 WeakPolarHBondContact CG1-O 3.42Å; I452-I487 PolarHBondContact N-O 2.83Å; I452-L489 HydrophobicContact CD1-CB 4.17Å; I452-L489 HydrophobicContact CD1-CD1 4.45Å; I452-L489 HydrophobicContact CG2-CB 3.69Å; I452-V500 HydrophobicContact CD1-CG2 3.9Å
453A97.3Very high81.9Confident0 Ų060.4 Ų60.40%031%0.306CS..EExtended strand (participates in β ladder)trans-153.5149.8174.500000111.8S415 F436 I455 S486 I487S415-A453 CarbonylContact O-C 3.59Å; S415-A453 VanDerWaalsContact O-CA 3.26Å; S415-A453 WeakPolarHBondContact O-CA 3.47Å; F436-A453 HydrophobicContact CE1-CB 4.02Å; F436-A453 HydrophobicContact CZ-CB 3.84Å; A453-I455 HydrophobicContact CB-CD1 3.93Å; A453-S486 WeakPolarHBondContact O-CA 3.39Å; A453-I487 HydrophobicContact CB-CB 4.48Å; A453-I487 PolarHBondContact N-O 3.4Å; A453-I487 PolarHBondContact O-N 3.27Å
454E97.9Very high84Confident58 Ų5858.5 Ų58.527%0.27130%0.301SS..EExtended strand (participates in β ladder)trans-122.4115.3167.3-64.7-179.313200107.9Q414 S415 L451 T484 L485Q414-E454 PolarHBondContact N-O 3.23Å; S415-E454 WeakPolarHBondContact CB-OE2 3.42Å; S415-E454 PolarHBondContact N-O 2.93Å; S415-E454 PolarHBondContact O-N 2.86Å; L451-E454 HydrophobicContact CD1-CG 4.14Å; L451-E454 HydrophobicContact CD2-CG 4.11Å; E454-T484 HydrophobicContact CB-CG2 3.94Å; E454-T484 HydrophobicContact CG-CG2 4.3Å; E454-L485 WeakPolarHBondContact CA-O 3.36Å
455I98.3Very high86.2Confident0 Ų057.3 Ų57.30%030%0.3CS..EExtended strand (participates in β ladder)trans-107.5125.4-177.4-44.3-57.6000108Y412 P413 Y432 F434 A453 I457 L485 I487 M502Y412-I455 WeakPolarHBondContact O-CA 3.29Å; Y412-I455 WeakPolarHBondContact O-CG2 3.17Å; P413-I455 HydrophobicContact CB-CD1 3.77Å; Y432-I455 HydrophobicContact CE1-CG2 3.99Å; F434-I455 HydrophobicContact CD1-CD1 3.66Å; F434-I455 HydrophobicContact CE1-CD1 3.58Å; A453-I455 HydrophobicContact CB-CD1 3.93Å; I455-I457 HydrophobicContact CB-CD1 4.2Å; I455-I457 HydrophobicContact CG2-CD1 3.77Å; I455-I457 PolarHBondContact O-N 3.32Å; I455-L485 HydrophobicContact CB-CB 4.37Å; I455-L485 PolarHBondContact N-O 3.41Å; I455-L485 PolarHBondContact O-N 2.9Å; I455-I487 HydrophobicContact CG1-CD1 4.1Å; I455-M502 HydrophobicContact CG1-CE 4.47Å; I455-M502 HydrophobicContact CG1-SD 3.94Å; I455-M502 HydrophobicContact CG2-CE 4.22Å
456Y98.3Very high88.3Confident4 Ų450.1 Ų50.12%0.01628%0.278CS..EExtended strand (participates in β ladder)trans-73.3125.7170.6169.6-106.9000109.5N74 W75 I409 P411 Y412 P458 N483N74-Y456 WeakPolarHBondContact O-CE2 3.41Å; N74-Y456 PolarHBondContact O-OH 2.7Å; W75-Y456 WeakPolarHBondContact CA-OH 3.28Å; W75-Y456 WeakPolarHBondContact O-CE1 3.45Å; W75-Y456 VanDerWaalsContact O-CZ 3.3Å; W75-Y456 PolarHBondContact O-OH 3.1Å; I409-Y456 HydrophobicContact CG2-CE1 3.84Å; I409-Y456 WeakPolarHBondContact CG2-OH 3.21Å; P411-Y456 WeakPolarHBondContact CA-O 3.45Å; P411-Y456 WeakPolarHBondContact CB-O 3.43Å; Y412-Y456 AromaticContact CD1-CD1 3.81Å; Y412-Y456 HydrophobicContact CD1-CD1 3.81Å; Y412-Y456 HydrophobicContact CD1-CG 4.29Å; Y412-Y456 AromaticContact CE1-CD1 3.8Å; Y412-Y456 HydrophobicContact CE1-CD1 3.8Å; Y412-Y456 HydrophobicContact CE1-CG 4.07Å; Y412-Y456 PolarHBondContact N-O 2.64Å; Y412-Y456 PolarHBondContact O-N 2.91Å; Y456-P458 HydrophobicContact CE1-CB 3.7Å; Y456-P458 HydrophobicContact CE1-CG 4.15Å; Y456-P458 WeakPolarHBondContact OH-CB 3.34Å; Y456-N483 CarbonylContact C-O 3.54Å; Y456-N483 WeakPolarHBondContact CA-O 3.06Å; Y456-N483 HydrophobicContact CD2-CB 3.93Å; Y456-N483 HydrophobicContact CE2-CB 3.62Å
457I97.9Very high90.5Very high0 Ų045.4 Ų45.40%024%0.241CC..  trans-116.1109178.2-51.2-52.3000108.6I455 L459 Y463 Y467 L480 N483 L485 M502 L504I455-I457 HydrophobicContact CB-CD1 4.2Å; I455-I457 HydrophobicContact CG2-CD1 3.77Å; I455-I457 PolarHBondContact O-N 3.32Å; I457-L459 VanDerWaalsContact C-N 3.28Å; I457-L459 HydrophobicContact CG2-CD2 3.8Å; I457-L459 HydrophobicContact CG2-CG 4.36Å; I457-L459 PolarHBondContact O-N 2.8Å; I457-Y463 HydrophobicContact CG2-CD2 3.76Å; I457-Y463 HydrophobicContact CG2-CE2 3.94Å; I457-Y467 HydrophobicContact CG2-CD1 4.33Å; I457-Y467 HydrophobicContact CG2-CE1 3.99Å; I457-L480 HydrophobicContact CB-CD1 4.49Å; I457-L480 HydrophobicContact CG1-CD1 4.33Å; I457-N483 PolarHBondContact N-O 3.15Å; I457-N483 VanDerWaalsContact O-CB 3.28Å; I457-N483 WeakPolarHBondContact O-CB 3.33Å; I457-L485 HydrophobicContact CD1-CB 4.24Å; I457-L485 HydrophobicContact CD1-CD2 4.48Å; I457-L485 HydrophobicContact CG1-CB 3.71Å; I457-M502 HydrophobicContact CD1-CE 4.15Å; I457-L504 HydrophobicContact CD1-CD1 3.51Å
458P96.6Very high92.4Very high0 Ų042 Ų420%023%0.23CC..  trans-75.974-179.930.6-37.2000112.2I409 Y456 S460 V461 H462 Y463I409-P458 HydrophobicContact CG2-CB 3.84Å; I409-P458 WeakPolarHBondContact O-CG 3.45Å; Y456-P458 HydrophobicContact CE1-CB 3.7Å; Y456-P458 HydrophobicContact CE1-CG 4.15Å; Y456-P458 WeakPolarHBondContact OH-CB 3.34Å; P458-S460 PolarHBondContact O-N 2.91Å; P458-V461 HydrophobicContact CB-CB 4.21Å; P458-V461 PolarHBondContact O-N 2.92Å; P458-H462 HydrophobicContact CG-CB 4.22Å; P458-H462 PolarHBondContact O-N 3.27Å; P458-Y463 HydrophobicContact CG-CD2 4.46Å; P458-Y463 HydrophobicContact CG-CE2 4.1Å
459L96.3Very high94.2Very high44 Ų4435.6 Ų35.623%0.2320%0.204CC..Hα-helixtrans-55-50.3-173.8-65.9176.9000112.7I457 V461 Y463 Y467 L480 G482 N483I457-L459 VanDerWaalsContact C-N 3.28Å; I457-L459 HydrophobicContact CG2-CD2 3.8Å; I457-L459 HydrophobicContact CG2-CG 4.36Å; I457-L459 PolarHBondContact O-N 2.8Å; L459-V461 VanDerWaalsContact C-N 3.29Å; L459-V461 PolarHBondContact O-N 3.47Å; L459-Y463 CarbonylContact O-C 3.45Å; L459-Y463 WeakPolarHBondContact O-CA 3.28Å; L459-Y463 PolarHBondContact O-N 3.04Å; L459-Y467 HydrophobicContact CD2-CD1 4.13Å; L459-Y467 HydrophobicContact CD2-CE1 3.75Å; L459-L480 HydrophobicContact CD1-CD2 4.17Å; L459-L480 HydrophobicContact CD2-CD2 4.29Å; L459-G482 VanDerWaalsContact CD1-O 3.29Å; L459-G482 WeakPolarHBondContact CD1-O 3.48Å; L459-N483 WeakPolarHBondContact CD1-OD1 3.23Å; L459-N483 WeakPolarHBondContact CG-OD1 3.38Å
460S92.7Very high95.5Very high85 Ų8536.6 Ų36.659%0.59421%0.212SC*.Hα-helixtrans-71.4-21.6-176.454.90000114.1P458P458-S460 PolarHBondContact O-N 2.91Å
461V93.5Very high96.1Very high31 Ų3136.8 Ų36.819%0.18821%0.213CC..Hα-helixtrans-96.5-46.5-175-175.80000111.3V405 R406 I409 P458 L459V405-V461 HydrophobicContact CG1-CG1 4.16Å; V405-V461 HydrophobicContact CG1-CG2 3.72Å; R406-V461 HydrophobicContact CB-CG1 4.36Å; I409-V461 HydrophobicContact CB-CG2 4.44Å; I409-V461 HydrophobicContact CG2-CG2 4.14Å; P458-V461 HydrophobicContact CB-CB 4.21Å; P458-V461 PolarHBondContact O-N 2.92Å; L459-V461 VanDerWaalsContact C-N 3.29Å; L459-V461 PolarHBondContact O-N 3.47Å
462H94.9Very high96.3Very high1 Ų138.5 Ų38.51%0.00522%0.222CC..Hα-helixtrans-119.4-12.6-172.6-70.2-61.2000114.7R406 I409 F425 P458 P464 R506R406-H462 PolarHBondContact O-CE1 3.39Å; R406-H462 PolarHBondContact O-NE2 2.85Å; R406-H462 VanDerWaalsContact O-NE2 3.12Å; I409-H462 PolarHBondContact O-CD2 3.02Å; I409-H462 PolarHBondContact O-NE2 3.17Å; I409-H462 VanDerWaalsContact O-NE2 3.13Å; F425-H462 AromaticContact CE1-NE2 3.83Å; F425-H462 AromaticContact CZ-CD2 3.72Å; F425-H462 AromaticContact CZ-CE1 3.69Å; F425-H462 AromaticContact CZ-CG 3.92Å; F425-H462 AromaticContact CZ-ND1 3.91Å; F425-H462 AromaticContact CZ-NE2 3.56Å; P458-H462 HydrophobicContact CG-CB 4.22Å; P458-H462 PolarHBondContact O-N 3.27Å; H462-P464 VanDerWaalsContact C-CD 3.42Å; H462-R506 PolarHBondContact ND1-NH2 3.44Å; H462-R506 VanDerWaalsContact ND1-NH2 3.19Å; H462-R506 WeakPolarHBondContact O-CD 3.41Å; H462-R506 PolarHBondContact O-NE 3.27Å
463Y96.1Very high96.3Very high4 Ų439.8 Ų39.82%0.01623%0.231CC..  trans-134.346.5-177.9-49-80000112.8G430 I457 P458 L459 N465 G466 Y467 R506G430-Y463 WeakPolarHBondContact O-CE1 3.5Å; G430-Y463 PolarHBondContact O-OH 3.44Å; I457-Y463 HydrophobicContact CG2-CD2 3.76Å; I457-Y463 HydrophobicContact CG2-CE2 3.94Å; P458-Y463 HydrophobicContact CG-CD2 4.46Å; P458-Y463 HydrophobicContact CG-CE2 4.1Å; L459-Y463 CarbonylContact O-C 3.45Å; L459-Y463 WeakPolarHBondContact O-CA 3.28Å; L459-Y463 PolarHBondContact O-N 3.04Å; Y463-N465 PolarHBondContact O-N 3.02Å; Y463-G466 WeakPolarHBondContact O-CA 3.18Å; Y463-G466 PolarHBondContact O-N 3.2Å; Y463-Y467 HydrophobicContact CD1-CG 4.48Å; Y463-Y467 HydrophobicContact CG-CD1 4.31Å; Y463-R506 HydrophobicContact CD1-CB 4.11Å; Y463-R506 HydrophobicContact CD1-CG 4.33Å; Y463-R506 HydrophobicContact CE1-CB 4.26Å
464P94.6Very high96Very high92 Ų9247 Ų4760%0.59727%0.269SS*.THydrogen-bonded Turntrans-63.9-27.1-174.626.8-35.9000112.8H462H462-P464 VanDerWaalsContact C-CD 3.42Å
465N95.7Very high95.7Very high131 Ų13147.5 Ų47.570%0.70127%0.274SS*.THydrogen-bonded Turntrans-96.48.5175.1-57.3-35.3000112.7Y463Y463-N465 PolarHBondContact O-N 3.02Å
466G95.1Very high95.5Very high23 Ų2348.2 Ų48.224%0.23728%0.277CS..  trans87.9-173.8-174.600000114.2Y463 K507Y463-G466 WeakPolarHBondContact O-CA 3.18Å; Y463-G466 PolarHBondContact O-N 3.2Å; G466-K507 PolarHBondContact O-N 3.14Å
467Y96.4Very high95.3Very high35 Ų3550.4 Ų50.414%0.13729%0.291CS..EExtended strand (participates in β ladder)trans-144.8164.7-178.361.2-90.1000110.4I457 L459 Y463 I469 L480 L504 V505 K507I457-Y467 HydrophobicContact CG2-CD1 4.33Å; I457-Y467 HydrophobicContact CG2-CE1 3.99Å; L459-Y467 HydrophobicContact CD2-CD1 4.13Å; L459-Y467 HydrophobicContact CD2-CE1 3.75Å; Y463-Y467 HydrophobicContact CD1-CG 4.48Å; Y463-Y467 HydrophobicContact CG-CD1 4.31Å; Y467-I469 HydrophobicContact CD2-CB 4.25Å; Y467-I469 HydrophobicContact CE2-CB 4.03Å; Y467-I469 HydrophobicContact CE2-CG2 4.31Å; Y467-L480 HydrophobicContact CE1-CD2 4.24Å; Y467-L504 HydrophobicContact CD2-CD2 3.47Å; Y467-L504 VanDerWaalsContact CD2-CD2 3.47Å; Y467-L504 HydrophobicContact CE2-CD2 3.63Å; Y467-L504 HydrophobicContact CG-CD2 4.33Å; Y467-V505 CarbonylContact C-O 3.52Å; Y467-V505 VanDerWaalsContact CA-O 3.22Å; Y467-V505 WeakPolarHBondContact CA-O 3.44Å; Y467-V505 WeakPolarHBondContact CB-O 3.39Å; Y467-K507 VanDerWaalsContact O-CE 3.24Å; Y467-K507 WeakPolarHBondContact O-CE 3.43Å; Y467-K507 PolarHBondContact O-NZ 3.11Å
468S97Very high95.2Very high50 Ų5052.5 Ų52.535%0.3531%0.309SS..EExtended strand (participates in β ladder)trans-105.8146.5159.552.40000109.8L504 V505S468-L504 WeakPolarHBondContact O-CA 3.46Å; S468-V505 PolarHBondContact N-O 3.41Å; S468-V505 PolarHBondContact O-N 2.86Å
469I97Very high95.2Very high57 Ų5758 Ų5829%0.29233%0.334SS..EExtended strand (participates in β ladder)trans-123131.7177.9-174.3171.2000110.2Y467 L471 L485 M502 E503 L504Y467-I469 HydrophobicContact CD2-CB 4.25Å; Y467-I469 HydrophobicContact CE2-CB 4.03Å; Y467-I469 HydrophobicContact CE2-CG2 4.31Å; I469-L471 HydrophobicContact CD1-CD1 4.26Å; I469-L471 HydrophobicContact CD1-CD2 3.85Å; I469-L471 HydrophobicContact CD1-CG 4Å; I469-L471 HydrophobicContact CG1-CD2 4.12Å; I469-L471 HydrophobicContact CG1-CG 4.04Å; I469-L485 HydrophobicContact CD1-CD2 3.43Å; I469-L485 VanDerWaalsContact CD1-CD2 3.43Å; I469-M502 HydrophobicContact CD1-CE 3.95Å; I469-M502 HydrophobicContact CD1-CG 4.23Å; I469-M502 HydrophobicContact CD1-SD 4.35Å; I469-M502 HydrophobicContact CG1-CG 4.35Å; I469-E503 WeakPolarHBondContact CA-O 3.35Å; I469-L504 HydrophobicContact CB-CD2 3.76Å; I469-L504 HydrophobicContact CD1-CD2 3.99Å; I469-L504 HydrophobicContact CG1-CD2 3.77Å
470N97.5Very high95.2Very high92 Ų9259.2 Ų59.249%0.49234%0.341SS..EExtended strand (participates in β ladder)trans-109.7132.5166.9-59.8-38000108.2M502 E503N470-M502 WeakPolarHBondContact O-CA 3.36Å; N470-E503 HydrophobicContact CB-CB 4.35Å; N470-E503 PolarHBondContact N-O 3.13Å; N470-E503 PolarHBondContact O-N 2.89Å
471L97.6Very high95.3Very high26 Ų2663 Ų6314%0.13635%0.347CS..EExtended strand (participates in β ladder)trans-124.9130.5177.3-67.4175.4000109.2I469 P473 N474 L476 A478 I487 E501 M502I469-L471 HydrophobicContact CD1-CD1 4.26Å; I469-L471 HydrophobicContact CD1-CD2 3.85Å; I469-L471 HydrophobicContact CD1-CG 4Å; I469-L471 HydrophobicContact CG1-CD2 4.12Å; I469-L471 HydrophobicContact CG1-CG 4.04Å; L471-P473 CarbonylContact O-C 3.48Å; L471-N474 PolarHBondContact O-OD1 3.29Å; L471-N474 VanDerWaalsContact O-OD1 3.1Å; L471-L476 HydrophobicContact CB-CB 4.35Å; L471-L476 HydrophobicContact CB-CD1 4.24Å; L471-L476 HydrophobicContact CD1-CB 4.17Å; L471-A478 HydrophobicContact CD1-CB 3.82Å; L471-I487 HydrophobicContact CD2-CD1 4.08Å; L471-E501 CarbonylContact C-O 3.57Å; L471-E501 WeakPolarHBondContact CA-O 3.25Å; L471-M502 HydrophobicContact CD2-CB 3.85Å; L471-M502 HydrophobicContact CD2-CG 3.87Å
472N96.3Very high95.4Very high76 Ų7664.2 Ų64.241%0.40637%0.365SS..EExtended strand (participates in β ladder)trans-118.1127.1170.6-174.824.9000108.5V500 E501N472-V500 VanDerWaalsContact O-CA 3.32Å; N472-V500 WeakPolarHBondContact O-CA 3.26Å; N472-E501 HydrophobicContact CB-CB 4.13Å; N472-E501 PolarHBondContact N-O 3.19Å; N472-E501 PolarHBondContact ND2-OE2 3Å; N472-E501 PolarHBondContact O-N 2.86Å
473P94.5Very high95.5Very high27 Ų2765.7 Ų65.718%0.17537%0.373CS..SBendcis-68.3152.6-3.229.5-35.8000114L471 N475 L476 L493 V498L471-P473 CarbonylContact O-C 3.48Å; P473-N475 WeakPolarHBondContact CB-OD1 3.28Å; P473-N475 WeakPolarHBondContact CG-OD1 3.31Å; P473-N475 PolarHBondContact O-N 3.48Å; P473-L476 HydrophobicContact CG-CD1 4.45Å; P473-L476 HydrophobicContact CG-CD2 4.46Å; P473-L476 HydrophobicContact CG-CG 4.09Å; P473-L476 VanDerWaalsContact O-CG 3.24Å; P473-L476 WeakPolarHBondContact O-CG 3.14Å; P473-L476 PolarHBondContact O-N 3.36Å; P473-L476 VanDerWaalsContact O-N 3.17Å; P473-L493 HydrophobicContact CG-CD1 4.17Å; P473-V498 HydrophobicContact CG-CG1 3.94Å
474N92.3Very high95.5Very high150 Ų15067.4 Ų67.480%0.80238%0.384SS*.THydrogen-bonded Turntrans-66-11.4-174.6-64.8-15.6000114.6L471L471-N474 PolarHBondContact O-OD1 3.29Å; L471-N474 VanDerWaalsContact O-OD1 3.1Å
475N91Very high95.7Very high70 Ų7063.2 Ų63.237%0.37436%0.356SS..THydrogen-bonded Turntrans-901.6178.566.1-18.3000113.4P473P473-N475 WeakPolarHBondContact CB-OD1 3.28Å; P473-N475 WeakPolarHBondContact CG-OD1 3.31Å; P473-N475 PolarHBondContact O-N 3.48Å
476L93.7Very high95.8Very high14 Ų1457.6 Ų57.67%0.07333%0.327CS..  trans-63.6144.2167.8-65.5174.4000110.4I452 L471 P473 I487 Y488 L489 V500I452-L476 HydrophobicContact CD1-CD2 4.1Å; L471-L476 HydrophobicContact CB-CB 4.35Å; L471-L476 HydrophobicContact CB-CD1 4.24Å; L471-L476 HydrophobicContact CD1-CB 4.17Å; P473-L476 HydrophobicContact CG-CD1 4.45Å; P473-L476 HydrophobicContact CG-CD2 4.46Å; P473-L476 HydrophobicContact CG-CG 4.09Å; P473-L476 VanDerWaalsContact O-CG 3.24Å; P473-L476 WeakPolarHBondContact O-CG 3.14Å; P473-L476 PolarHBondContact O-N 3.36Å; P473-L476 VanDerWaalsContact O-N 3.17Å; L476-I487 HydrophobicContact CB-CG2 4.44Å; L476-I487 HydrophobicContact CD1-CG2 4.31Å; L476-Y488 WeakPolarHBondContact CD2-O 3.5Å; L476-L489 HydrophobicContact CD2-CD1 3.72Å; L476-V500 HydrophobicContact CD1-CB 4.49Å; L476-V500 HydrophobicContact CD1-CG1 3.71Å; L476-V500 HydrophobicContact CD1-CG2 4.19Å
477T94.3Very high95.9Very high50 Ų5056.5 Ų56.531%0.30732%0.316SS..EExtended strand (participates in β ladder)trans-106.5145.4169.647.90000109.9Q449 I487 Y488Q449-T477 PolarHBondContact NE2-OG1 3.46Å; Q449-T477 PolarHBondContact OE1-OG1 3.06Å; T477-I487 WeakPolarHBondContact O-CA 3.49Å; T477-Y488 PolarHBondContact N-O 2.87Å; T477-Y488 PolarHBondContact O-N 3.38Å; T477-Y488 WeakPolarHBondContact OG1-CB 3.13Å
478A95.7Very high95.8Very high45 Ų4557.2 Ų57.237%0.37232%0.319SS..EExtended strand (participates in β ladder)trans-133.7139174.400000111L471 L485 S486 I487L471-A478 HydrophobicContact CD1-CB 3.82Å; A478-L485 HydrophobicContact CB-CD1 3.96Å; A478-L485 HydrophobicContact CB-CG 4.38Å; A478-S486 CarbonylContact C-O 3.54Å; A478-S486 WeakPolarHBondContact CA-O 3.19Å; A478-I487 HydrophobicContact CB-CG1 4.4Å
479E96.4Very high95.5Very high115 Ų11554.8 Ų54.854%0.53730%0.302SS..EExtended strand (participates in β ladder)trans-124.4130.4177.3-174.3179.6164.800108.9L485 S486 Y488E479-L485 CarbonylContact O-C 2.92Å; E479-L485 WeakPolarHBondContact O-CA 3.48Å; E479-S486 PolarHBondContact N-O 3.09Å; E479-S486 PolarHBondContact O-N 3Å; E479-Y488 HydrophobicContact CB-CE2 4.19Å
480L96.6Very high95.1Very high69 Ų6952.9 Ų52.936%0.36129%0.294SS..EExtended strand (participates in β ladder)trans-102.5120.7175.5-178.273.3000109.4I457 L459 Y467 L485I457-L480 HydrophobicContact CB-CD1 4.49Å; I457-L480 HydrophobicContact CG1-CD1 4.33Å; L459-L480 HydrophobicContact CD1-CD2 4.17Å; L459-L480 HydrophobicContact CD2-CD2 4.29Å; Y467-L480 HydrophobicContact CE1-CD2 4.24Å; L480-L485 HydrophobicContact CB-CD1 4.16Å; L480-L485 HydrophobicContact CD1-CB 4.15Å; L480-L485 HydrophobicContact CD1-CD1 4.37Å
481K95.7Very high94.2Very high166 Ų16652 Ų5272%0.72229%0.291SS*.EExtended strand (participates in β ladder)trans-123.8113.3171.6-175.8-179.8177.6-176.70109.6N483 T484K481-N483 PolarHBondContact O-N 3.16Å; K481-T484 PolarHBondContact N-O 3.31Å; K481-T484 PolarHBondContact O-N 3.41Å
482G94.5Very high93.5Very high55 Ų5555.9 Ų55.957%0.56731%0.312SS*.THydrogen-bonded Turntrans59.1-123.6-171.200000110.1L459L459-G482 VanDerWaalsContact CD1-O 3.29Å; L459-G482 WeakPolarHBondContact CD1-O 3.48Å
483N96.8Very high92.7Very high32 Ų3253.6 Ų53.617%0.17130%0.3CS..THydrogen-bonded Turntrans-97.110.1177-67.8-20.9000113.2N74 Y456 I457 L459 K481N74-N483 PolarHBondContact O-ND2 2.81Å; Y456-N483 CarbonylContact C-O 3.54Å; Y456-N483 WeakPolarHBondContact CA-O 3.06Å; Y456-N483 HydrophobicContact CD2-CB 3.93Å; Y456-N483 HydrophobicContact CE2-CB 3.62Å; I457-N483 PolarHBondContact N-O 3.15Å; I457-N483 VanDerWaalsContact O-CB 3.28Å; I457-N483 WeakPolarHBondContact O-CB 3.33Å; L459-N483 WeakPolarHBondContact CD1-OD1 3.23Å; L459-N483 WeakPolarHBondContact CG-OD1 3.38Å; K481-N483 PolarHBondContact O-N 3.16Å
484T97.6Very high91.7Very high40 Ų4053.8 Ų53.825%0.24530%0.297CS..EExtended strand (participates in β ladder)trans-109.1118.5-178.7-560000110.3E454 K481E454-T484 HydrophobicContact CB-CG2 3.94Å; E454-T484 HydrophobicContact CG-CG2 4.3Å; K481-T484 PolarHBondContact N-O 3.31Å; K481-T484 PolarHBondContact O-N 3.41Å
485L98Very high90.9Very high4 Ų451.8 Ų51.82%0.02129%0.287CS..EExtended strand (participates in β ladder)trans-94.9110171.4-177.579.5000109.4E454 I455 I457 I469 A478 E479 L480 I487 M502E454-L485 WeakPolarHBondContact CA-O 3.36Å; I455-L485 HydrophobicContact CB-CB 4.37Å; I455-L485 PolarHBondContact N-O 3.41Å; I455-L485 PolarHBondContact O-N 2.9Å; I457-L485 HydrophobicContact CD1-CB 4.24Å; I457-L485 HydrophobicContact CD1-CD2 4.48Å; I457-L485 HydrophobicContact CG1-CB 3.71Å; I469-L485 HydrophobicContact CD1-CD2 3.43Å; I469-L485 VanDerWaalsContact CD1-CD2 3.43Å; A478-L485 HydrophobicContact CB-CD1 3.96Å; A478-L485 HydrophobicContact CB-CG 4.38Å; E479-L485 CarbonylContact O-C 2.92Å; E479-L485 WeakPolarHBondContact O-CA 3.48Å; L480-L485 HydrophobicContact CB-CD1 4.16Å; L480-L485 HydrophobicContact CD1-CB 4.15Å; L480-L485 HydrophobicContact CD1-CD1 4.37Å; L485-I487 HydrophobicContact CD2-CD1 4.5Å; L485-I487 HydrophobicContact CD2-CG1 4.38Å; L485-M502 HydrophobicContact CD2-CE 3.46Å; L485-M502 VanDerWaalsContact CD2-CE 3.46Å; L485-M502 HydrophobicContact CD2-SD 4.05Å
486S97.8Very high90.5Very high14 Ų1453.7 Ų53.710%0.09829%0.293CS..EExtended strand (participates in β ladder)trans-90.4125.5175.4-61.60000109.7A453 A478 E479 Y488A453-S486 WeakPolarHBondContact O-CA 3.39Å; A478-S486 CarbonylContact C-O 3.54Å; A478-S486 WeakPolarHBondContact CA-O 3.19Å; E479-S486 PolarHBondContact N-O 3.09Å; E479-S486 PolarHBondContact O-N 3Å; S486-Y488 WeakPolarHBondContact CB-OH 3.4Å
487I96.7Very high90.3Very high0 Ų058.7 Ų58.70%032%0.316CS..EExtended strand (participates in β ladder)trans-108.4134.5178-56.1175.3000108.7I452 A453 I455 L471 L476 T477 A478 L485 M502I452-I487 HydrophobicContact CD1-CG2 4Å; I452-I487 HydrophobicContact CG1-CB 4.29Å; I452-I487 HydrophobicContact CG1-CG2 4.05Å; I452-I487 WeakPolarHBondContact CG1-O 3.42Å; I452-I487 PolarHBondContact N-O 2.83Å; A453-I487 HydrophobicContact CB-CB 4.48Å; A453-I487 PolarHBondContact N-O 3.4Å; A453-I487 PolarHBondContact O-N 3.27Å; I455-I487 HydrophobicContact CG1-CD1 4.1Å; L471-I487 HydrophobicContact CD2-CD1 4.08Å; L476-I487 HydrophobicContact CB-CG2 4.44Å; L476-I487 HydrophobicContact CD1-CG2 4.31Å; T477-I487 WeakPolarHBondContact O-CA 3.49Å; A478-I487 HydrophobicContact CB-CG1 4.4Å; L485-I487 HydrophobicContact CD2-CD1 4.5Å; L485-I487 HydrophobicContact CD2-CG1 4.38Å; I487-M502 HydrophobicContact CD1-SD 3.75Å
488Y94.3Very high90.3Very high49 Ų4957 Ų5719%0.19231%0.305CS..EExtended strand (participates in β ladder)trans-122.4138.5-177.4-52.6-101.8000112.5Q449 N450 L451 L476 T477 E479 S486Q449-Y488 HydrophobicContact CB-CD1 4.39Å; Q449-Y488 HydrophobicContact CB-CG 4.46Å; N450-Y488 CarbonylContact O-C 3.54Å; N450-Y488 WeakPolarHBondContact O-CA 3.31Å; L451-Y488 HydrophobicContact CB-CD1 4.08Å; L451-Y488 HydrophobicContact CB-CE1 3.95Å; L451-Y488 HydrophobicContact CD1-CD1 4.36Å; L451-Y488 HydrophobicContact CD1-CE1 3.95Å; L476-Y488 WeakPolarHBondContact CD2-O 3.5Å; T477-Y488 PolarHBondContact N-O 2.87Å; T477-Y488 PolarHBondContact O-N 3.38Å; T477-Y488 WeakPolarHBondContact OG1-CB 3.13Å; E479-Y488 HydrophobicContact CB-CE2 4.19Å; S486-Y488 WeakPolarHBondContact CB-OH 3.4Å
489L91.3Very high90.3Very high0 Ų058.6 Ų58.60%031%0.307CS..EExtended strand (participates in β ladder)trans-88.5132.5172.8-164.871.6000109.9L441 N450 I452 L476 L493 V498L441-L489 HydrophobicContact CD1-CD2 3.87Å; N450-L489 PolarHBondContact N-O 3.16Å; N450-L489 PolarHBondContact O-N 2.94Å; I452-L489 HydrophobicContact CD1-CB 4.17Å; I452-L489 HydrophobicContact CD1-CD1 4.45Å; I452-L489 HydrophobicContact CG2-CB 3.69Å; L476-L489 HydrophobicContact CD2-CD1 3.72Å; L489-L493 HydrophobicContact CD1-CB 3.96Å; L489-L493 HydrophobicContact CD1-CD1 4.06Å; L489-L493 HydrophobicContact CD2-CB 4.07Å; L489-L493 HydrophobicContact CG-CB 3.94Å; L489-V498 HydrophobicContact CD1-CB 4.34Å; L489-V498 HydrophobicContact CD1-CG1 4.36Å; L489-V498 HydrophobicContact CD1-CG2 4.18Å
490P87.6Confident90.4Very high17 Ų1753.1 Ų53.111%0.1128%0.282CS..EExtended strand (participates in β ladder)trans-69155.8174.433.2-37.2000111.1D492 L493P490-D492 VanDerWaalsContact C-N 3.25Å; P490-D492 WeakPolarHBondContact CB-OD1 3.4Å; P490-D492 VanDerWaalsContact CG-OD1 3.3Å; P490-D492 WeakPolarHBondContact CG-OD1 3.48Å; P490-D492 PolarHBondContact O-N 2.78Å; P490-L493 HydrophobicContact CG-CD1 4.01Å; P490-L493 HydrophobicContact CG-CG 4.28Å; P490-L493 PolarHBondContact O-N 2.71Å
491T80.4Confident90.4Very high72 Ų7253.8 Ų53.844%0.44228%0.283SS..G310 helixtrans-62.5-28.1-170.446.80000114.7K448 L493 R494K448-T491 WeakPolarHBondContact O-CG2 3.25Å; T491-L493 VanDerWaalsContact C-N 3.29Å; T491-L493 PolarHBondContact O-N 3.47Å; T491-R494 WeakPolarHBondContact O-CD 3.21Å; T491-R494 VanDerWaalsContact O-CG 3.23Å; T491-R494 WeakPolarHBondContact O-CG 3.37Å
492D81.5Confident90.6Very high109 Ų10946 Ų4658%0.58325%0.249SC*.G310 helixtrans-68.2-25.9-179.855.9-38.9000113P490P490-D492 VanDerWaalsContact C-N 3.25Å; P490-D492 WeakPolarHBondContact CB-OD1 3.4Å; P490-D492 VanDerWaalsContact CG-OD1 3.3Å; P490-D492 WeakPolarHBondContact CG-OD1 3.48Å; P490-D492 PolarHBondContact O-N 2.78Å
493L80.3Confident90.7Very high27 Ų2748.3 Ų48.314%0.14125%0.245CC..G310 helixtrans-96.45.6-179.3-63.8180000114.2P473 L489 P490 T491 N495 E496 V498P473-L493 HydrophobicContact CG-CD1 4.17Å; L489-L493 HydrophobicContact CD1-CB 3.96Å; L489-L493 HydrophobicContact CD1-CD1 4.06Å; L489-L493 HydrophobicContact CD2-CB 4.07Å; L489-L493 HydrophobicContact CG-CB 3.94Å; P490-L493 HydrophobicContact CG-CD1 4.01Å; P490-L493 HydrophobicContact CG-CG 4.28Å; P490-L493 PolarHBondContact O-N 2.71Å; T491-L493 VanDerWaalsContact C-N 3.29Å; T491-L493 PolarHBondContact O-N 3.47Å; L493-N495 VanDerWaalsContact C-N 3.3Å; L493-N495 PolarHBondContact O-N 3.29Å; L493-E496 PolarHBondContact O-N 3.11Å; L493-V498 HydrophobicContact CB-CG2 4.07Å; L493-V498 HydrophobicContact CD1-CG2 4.4Å
494R73.8Confident90.8Very high31 Ų3146.9 Ų46.912%0.11724%0.238CC..THydrogen-bonded Turntrans-59.9-31.7-170.6-75.6178.8172.1-171-3.4115.9L441 Y445 E447 N450 T491 E496L441-R494 PolarHBondContact N-O 3.45Å; L441-R494 VanDerWaalsContact N-O 3.11Å; Y445-R494 PolarHBondContact O-NH1 3.41Å; E447-R494 PolarHBondContact O-NH2 2.9Å; N450-R494 WeakPolarHBondContact ND2-CD 3.32Å; N450-R494 WeakPolarHBondContact ND2-CG 3.35Å; N450-R494 PolarHBondContact ND2-NE 3.49Å; N450-R494 VanDerWaalsContact OD1-CZ 3.26Å; N450-R494 PolarHBondContact OD1-NE 3.48Å; N450-R494 PolarHBondContact OD1-NH2 2.86Å; T491-R494 WeakPolarHBondContact O-CD 3.21Å; T491-R494 VanDerWaalsContact O-CG 3.23Å; T491-R494 WeakPolarHBondContact O-CG 3.37Å; R494-E496 VanDerWaalsContact C-N 3.34Å
495N75.4Confident90.7Very high109 Ų10947.5 Ų47.558%0.58324%0.241SC*.THydrogen-bonded Turntrans-92.74.6-175.2-64.4-40.8000112.9Q440 L493Q440-N495 PolarHBondContact NE2-O 2.97Å; L493-N495 VanDerWaalsContact C-N 3.3Å; L493-N495 PolarHBondContact O-N 3.29Å
496E81.3Confident90.6Very high110 Ų11050.5 Ų50.551%0.51425%0.252SS..SBendtrans-110.1150.3-175.4-61.3-174.2178.700111.5T438 L493 R494 V498T438-E496 PolarHBondContact OG1-O 3.24Å; L493-E496 PolarHBondContact O-N 3.11Å; R494-E496 VanDerWaalsContact C-N 3.34Å; E496-V498 HydrophobicContact CB-CG2 4.05Å; E496-V498 PolarHBondContact O-N 2.96Å
497H90.8Very high90.4Very high118 Ų11858.3 Ų58.355%0.54629%0.285SS..  trans-81.3105162-73.7-67.7000107.7I437 T438I437-H497 HydrophobicContact CG2-CB 3.76Å; T438-H497 PolarHBondContact O-ND1 3.16Å
498V93.4Very high90.1Very high15 Ų1561.3 Ų61.39%0.09130%0.299CS..  trans-100.4124.4-177-177.80000108.6I437 T438 P473 L489 L493 E496 V500I437-V498 CarbonylContact C-O 3.57Å; I437-V498 WeakPolarHBondContact CA-O 3.28Å; T438-V498 HydrophobicContact CG2-CB 4.31Å; T438-V498 PolarHBondContact N-O 3.37Å; T438-V498 PolarHBondContact OG1-N 2.89Å; P473-V498 HydrophobicContact CG-CG1 3.94Å; L489-V498 HydrophobicContact CD1-CB 4.34Å; L489-V498 HydrophobicContact CD1-CG1 4.36Å; L489-V498 HydrophobicContact CD1-CG2 4.18Å; L493-V498 HydrophobicContact CB-CG2 4.07Å; L493-V498 HydrophobicContact CD1-CG2 4.4Å; E496-V498 HydrophobicContact CB-CG2 4.05Å; E496-V498 PolarHBondContact O-N 2.96Å; V498-V500 HydrophobicContact CG1-CG2 4.27Å; V498-V500 PolarHBondContact O-N 3.23Å
499L96.6Very high89.8Confident78 Ų7861.9 Ų61.941%0.40830%0.304SS..EExtended strand (participates in β ladder)trans-71.2115165.3176.663.4000107.9V421 I437 E501V421-L499 HydrophobicContact CG2-CD1 4.17Å; I437-L499 HydrophobicContact CG1-CD1 4.07Å; L499-E501 HydrophobicContact CD1-CG 4.4Å; L499-E501 HydrophobicContact CD2-CG 4.32Å; L499-E501 HydrophobicContact CG-CG 4.05Å
500V97.3Very high89.8Confident0 Ų065.3 Ų65.30%032%0.321CS..EExtended strand (participates in β ladder)trans-100.9128.1173.8176.20000108.1S435 F436 T438 I452 N472 L476 V498S435-V500 WeakPolarHBondContact CA-O 3.32Å; S435-V500 WeakPolarHBondContact CB-O 3.26Å; F436-V500 HydrophobicContact CD1-CB 3.93Å; F436-V500 HydrophobicContact CD1-CG1 4.14Å; F436-V500 HydrophobicContact CE1-CB 3.58Å; F436-V500 HydrophobicContact CE1-CG1 3.49Å; F436-V500 VanDerWaalsContact CE1-CG1 3.49Å; F436-V500 HydrophobicContact CE1-CG2 4.22Å; F436-V500 HydrophobicContact CE2-CG2 4.45Å; F436-V500 HydrophobicContact CZ-CB 3.92Å; F436-V500 HydrophobicContact CZ-CG1 4.04Å; F436-V500 HydrophobicContact CZ-CG2 4.03Å; F436-V500 PolarHBondContact N-O 3.32Å; F436-V500 PolarHBondContact O-N 2.97Å; T438-V500 HydrophobicContact CG2-CG2 3.88Å; I452-V500 HydrophobicContact CD1-CG2 3.9Å; N472-V500 VanDerWaalsContact O-CA 3.32Å; N472-V500 WeakPolarHBondContact O-CA 3.26Å; L476-V500 HydrophobicContact CD1-CB 4.49Å; L476-V500 HydrophobicContact CD1-CG1 3.71Å; L476-V500 HydrophobicContact CD1-CG2 4.19Å; V498-V500 HydrophobicContact CG1-CG2 4.27Å; V498-V500 PolarHBondContact O-N 3.23Å
501E98.4Very high89.9Confident83 Ų8368.2 Ų68.239%0.38833%0.334SS..EExtended strand (participates in β ladder)trans-124133.4173.5-53.6173.7110.900109L471 N472 L499L471-E501 CarbonylContact C-O 3.57Å; L471-E501 WeakPolarHBondContact CA-O 3.25Å; N472-E501 HydrophobicContact CB-CB 4.13Å; N472-E501 PolarHBondContact N-O 3.19Å; N472-E501 PolarHBondContact ND2-OE2 3Å; N472-E501 PolarHBondContact O-N 2.86Å; L499-E501 HydrophobicContact CD1-CG 4.4Å; L499-E501 HydrophobicContact CD2-CG 4.32Å; L499-E501 HydrophobicContact CG-CG 4.05Å
502M98.2Very high90.5Very high2 Ų267.9 Ų67.91%0.0133%0.327CS..EExtended strand (participates in β ladder)trans-129133.3-178.6172.6-177.9164.900109.1Y432 S433 F434 I455 I457 I469 N470 L471 L485 I487 L504Y432-M502 HydrophobicContact CD1-CE 4.46Å; S433-M502 CarbonylContact C-O 3.5Å; S433-M502 VanDerWaalsContact CA-O 3.3Å; S433-M502 WeakPolarHBondContact CA-O 3.17Å; F434-M502 PolarHBondContact N-O 3.25Å; F434-M502 PolarHBondContact O-N 2.69Å; I455-M502 HydrophobicContact CG1-CE 4.47Å; I455-M502 HydrophobicContact CG1-SD 3.94Å; I455-M502 HydrophobicContact CG2-CE 4.22Å; I457-M502 HydrophobicContact CD1-CE 4.15Å; I469-M502 HydrophobicContact CD1-CE 3.95Å; I469-M502 HydrophobicContact CD1-CG 4.23Å; I469-M502 HydrophobicContact CD1-SD 4.35Å; I469-M502 HydrophobicContact CG1-CG 4.35Å; N470-M502 WeakPolarHBondContact O-CA 3.36Å; L471-M502 HydrophobicContact CD2-CB 3.85Å; L471-M502 HydrophobicContact CD2-CG 3.87Å; L485-M502 HydrophobicContact CD2-CE 3.46Å; L485-M502 VanDerWaalsContact CD2-CE 3.46Å; L485-M502 HydrophobicContact CD2-SD 4.05Å; I487-M502 HydrophobicContact CD1-SD 3.75Å; M502-L504 HydrophobicContact CE-CD1 3.53Å; M502-L504 HydrophobicContact CE-CD2 3.57Å; M502-L504 HydrophobicContact CE-CG 3.45Å; M502-L504 VanDerWaalsContact CE-CG 3.45Å
503E98.1Very high91.1Very high105 Ų10565.2 Ų65.249%0.49131%0.31SS..EExtended strand (participates in β ladder)trans-128.8131.6171.9-62.3-179.4161.800110.2Y432 I469 N470Y432-E503 CarbonylContact O-C 3.43Å; Y432-E503 WeakPolarHBondContact O-CA 3.43Å; I469-E503 WeakPolarHBondContact CA-O 3.35Å; N470-E503 HydrophobicContact CB-CB 4.35Å; N470-E503 PolarHBondContact N-O 3.13Å; N470-E503 PolarHBondContact O-N 2.89Å
504L97.4Very high91.8Very high2 Ų267.9 Ų67.91%0.0132%0.322CS..EExtended strand (participates in β ladder)trans-110.9135.1170.2-60.7176.8000109.9E431 Y432 I457 Y467 S468 I469 M502E431-L504 WeakPolarHBondContact CA-O 3.34Å; Y432-L504 HydrophobicContact CD1-CD1 3.94Å; Y432-L504 HydrophobicContact CD1-CG 4.37Å; Y432-L504 PolarHBondContact N-O 2.88Å; Y432-L504 PolarHBondContact O-N 2.75Å; I457-L504 HydrophobicContact CD1-CD1 3.51Å; Y467-L504 HydrophobicContact CD2-CD2 3.47Å; Y467-L504 VanDerWaalsContact CD2-CD2 3.47Å; Y467-L504 HydrophobicContact CE2-CD2 3.63Å; Y467-L504 HydrophobicContact CG-CD2 4.33Å; S468-L504 WeakPolarHBondContact O-CA 3.46Å; I469-L504 HydrophobicContact CB-CD2 3.76Å; I469-L504 HydrophobicContact CD1-CD2 3.99Å; I469-L504 HydrophobicContact CG1-CD2 3.77Å; M502-L504 HydrophobicContact CE-CD1 3.53Å; M502-L504 HydrophobicContact CE-CD2 3.57Å; M502-L504 HydrophobicContact CE-CG 3.45Å; M502-L504 VanDerWaalsContact CE-CG 3.45Å
505V96.6Very high93.2Very high53 Ų5370.8 Ų70.832%0.32134%0.338SS..EExtended strand (participates in β ladder)trans-125.7128172.9-175.50000108.3Y467 S468Y467-V505 CarbonylContact C-O 3.52Å; Y467-V505 VanDerWaalsContact CA-O 3.22Å; Y467-V505 WeakPolarHBondContact CA-O 3.44Å; Y467-V505 WeakPolarHBondContact CB-O 3.39Å; S468-V505 PolarHBondContact N-O 3.41Å; S468-V505 PolarHBondContact O-N 2.86Å
506R95Very high94.7Very high67 Ų6767.6 Ų67.625%0.25332%0.317SS..EExtended strand (participates in β ladder)trans-65.5139.6176.1-176.3-173.2-67157.91.9110.2E428 T429 H462 Y463E428-R506 PolarHBondContact O-NH1 3.44Å; T429-R506 WeakPolarHBondContact O-CB 3.5Å; T429-R506 VanDerWaalsContact O-CZ 3.32Å; T429-R506 PolarHBondContact O-NE 3.45Å; T429-R506 PolarHBondContact O-NH1 3.38Å; H462-R506 PolarHBondContact ND1-NH2 3.44Å; H462-R506 VanDerWaalsContact ND1-NH2 3.19Å; H462-R506 WeakPolarHBondContact O-CD 3.41Å; H462-R506 PolarHBondContact O-NE 3.27Å; Y463-R506 HydrophobicContact CD1-CB 4.11Å; Y463-R506 HydrophobicContact CD1-CG 4.33Å; Y463-R506 HydrophobicContact CE1-CB 4.26Å
507K93.6Very high95.9Very high178 Ų17863.7 Ų63.777%0.77430%0.299SS*.  trans-86.30175.5-75-179.6177.2170.20113.6G466 Y467G466-K507 PolarHBondContact O-N 3.14Å; Y467-K507 VanDerWaalsContact O-CE 3.24Å; Y467-K507 WeakPolarHBondContact O-CE 3.43Å; Y467-K507 PolarHBondContact O-NZ 3.11Å

Retrieved 507 of 507 residues in 1715.7 ms (Link to these results)

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